N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide

C14H31N3O3S — CID 106080574

IUPACN-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)N1CCC(CNC(C)C)CC1
InChIInChI=1S/C14H31N3O3S/c1-12(2)15-10-13-6-8-17(9-7-13)21(18,19)16-14(3,4)11-20-5/h12-13,15-16H,6-11H2,1-5H3
InChIKeyFSYFBQFHEUGHQP-UHFFFAOYSA-N
MW321.49 g/mol
LogP0.96
Rot. Bonds8

About N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide

N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide (PubChem CID 106080574) has the molecular formula C14H31N3O3S and a molecular weight of 321.49 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
PubChem CID106080574
Molecular FormulaC14H31N3O3S
Molecular Weight321.49 g/mol
Exact Mass321.21
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)N1CCC(CNC(C)C)CC1
InChIInChI=1S/C14H31N3O3S/c1-12(2)15-10-13-6-8-17(9-7-13)21(18,19)16-14(3,4)11-20-5/h12-13,15-16H,6-11H2,1-5H3
InChIKeyFSYFBQFHEUGHQP-UHFFFAOYSA-N
XLogP0.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63877943
1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 66569294
ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 156795417
N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63847901
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878751
4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
CID 114813088
2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine
CID 63878573
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858282
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-2-amine
CID 106317240
4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
CID 106079875
N-methyl-N-propan-2-yl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848072
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63879103

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide (CID 106080574) is N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide is COCC(C)(C)NS(=O)(=O)N1CCC(CNC(C)C)CC1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The InChIKey is FSYFBQFHEUGHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O3S/c1-12(2)15-10-13-6-8-17(9-7-13)21(18,19)16-14(3,4)11-20-5/h12-13,15-16H,6-11H2,1-5H3.
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide has a molecular weight of 321.49 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-4-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106080574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).