N-[[(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide

C15H27N3O3S — CID 164633209

IUPACN-[[(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide
SMILESCCc1nc(C)c(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)o1
InChIInChI=1S/C15H27N3O3S/c1-5-15-16-12(2)14(21-15)11-18-8-6-7-13(10-18)9-17(3)22(4,19)20/h13H,5-11H2,1-4H3/t13-/m1/s1
InChIKeyUGBDEYDWFXTQIQ-CYBMUJFWSA-N
MW329.47 g/mol
LogP1.65
Rot. Bonds6

About N-[[(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide

N-[[(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 164633209) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[[(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide
PubChem CID164633209
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC NameN-[[(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide
SMILESCCc1nc(C)c(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)o1
InChIInChI=1S/C15H27N3O3S/c1-5-15-16-12(2)14(21-15)11-18-8-6-7-13(10-18)9-17(3)22(4,19)20/h13H,5-11H2,1-4H3/t13-/m1/s1
InChIKeyUGBDEYDWFXTQIQ-CYBMUJFWSA-N
XLogP1.65
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide (CID 164633209) is N-[[(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide is CCc1nc(C)c(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)o1.
What is the InChIKey of N-[[(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is UGBDEYDWFXTQIQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-5-15-16-12(2)14(21-15)11-18-8-6-7-13(10-18)9-17(3)22(4,19)20/h13H,5-11H2,1-4H3/t13-/m1/s1.
What are the key properties of N-[[(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide?
N-[[(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 329.47 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 164633209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).