N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide

C12H27N3O2S — CID 106017805

IUPACN-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NC1CCCN(C)C1
InChIInChI=1S/C12H27N3O2S/c1-10(2)13-8-11(3)18(16,17)14-12-6-5-7-15(4)9-12/h10-14H,5-9H2,1-4H3
InChIKeyXPWBKPPOQDMWGS-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.39
Rot. Bonds6

About N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106017805) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106017805
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NC1CCCN(C)C1
InChIInChI=1S/C12H27N3O2S/c1-10(2)13-8-11(3)18(16,17)14-12-6-5-7-15(4)9-12/h10-14H,5-9H2,1-4H3
InChIKeyXPWBKPPOQDMWGS-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 106052302
N-(oxan-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106065267
N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
CID 61384296
3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
CID 79585064
N-(2-methylcyclohexyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114132164
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802
N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106075141
1-(propan-2-ylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-2-sulfonamide
CID 106017991
N-cyclohexylbutane-2-sulfonamide
CID 59716186
N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114142340
N-butan-2-yl-1-methylpiperidin-3-amine
CID 61211214
1-methyl-N-(2-methylbutyl)piperidin-3-amine
CID 61211786

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106017805) is N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)NC1CCCN(C)C1.
What is the InChIKey of N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is XPWBKPPOQDMWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-10(2)13-8-11(3)18(16,17)14-12-6-5-7-15(4)9-12/h10-14H,5-9H2,1-4H3.
What are the key properties of N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106017805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).