2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide

C22H38N4O5S — CID 70820859

IUPAC2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
SMILESCS(=O)NC1CCN(C(C)(C)C(=O)Nc2cc(C(C)(C)COC3CCCCO3)no2)CC1
InChIInChI=1S/C22H38N4O5S/c1-21(2,15-30-19-8-6-7-13-29-19)17-14-18(31-24-17)23-20(27)22(3,4)26-11-9-16(10-12-26)25-32(5)28/h14,16,19,25H,6-13,15H2,1-5H3,(H,23,27)
InChIKeySKECDEPOONOBCV-UHFFFAOYSA-N
MW470.64 g/mol
LogP2.56
Rot. Bonds9

About 2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide

2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide (PubChem CID 70820859) has the molecular formula C22H38N4O5S and a molecular weight of 470.64 g/mol. Its IUPAC name is 2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
PubChem CID70820859
Molecular FormulaC22H38N4O5S
Molecular Weight470.64 g/mol
Exact Mass470.26
IUPAC Name2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
SMILESCS(=O)NC1CCN(C(C)(C)C(=O)Nc2cc(C(C)(C)COC3CCCCO3)no2)CC1
InChIInChI=1S/C22H38N4O5S/c1-21(2,15-30-19-8-6-7-13-29-19)17-14-18(31-24-17)23-20(27)22(3,4)26-11-9-16(10-12-26)25-32(5)28/h14,16,19,25H,6-13,15H2,1-5H3,(H,23,27)
InChIKeySKECDEPOONOBCV-UHFFFAOYSA-N
XLogP2.56
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 71244440
2-(3-fluoropyrrolidin-1-yl)sulfanyl-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 143964784
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 59253303
1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide
CID 77437927
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide
CID 77477724
N-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 91058439
(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide
CID 67953732
2-[cyclopropylmethyl(methylidene)-λ4-sulfanyl]-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
CID 89078441
3-[cyclopentyl(methyl)amino]-3-methyl-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one
CID 58297266
3-methyl-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methylamino]butan-2-one
CID 58297237
3-methyl-3-[methyl-[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one
CID 58297313
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide
CID 71103757

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
The IUPAC name of 2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide (CID 70820859) is 2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for 2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for 2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide is CS(=O)NC1CCN(C(C)(C)C(=O)Nc2cc(C(C)(C)COC3CCCCO3)no2)CC1.
What is the InChIKey of 2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
The InChIKey is SKECDEPOONOBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O5S/c1-21(2,15-30-19-8-6-7-13-29-19)17-14-18(31-24-17)23-20(27)22(3,4)26-11-9-16(10-12-26)25-32(5)28/h14,16,19,25H,6-13,15H2,1-5H3,(H,23,27).
What are the key properties of 2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide has a molecular weight of 470.64 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 70820859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).