4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide

C15H31N3O2S — CID 106028741

IUPAC4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide
SMILESCC(C)CC(C)NS(=O)(=O)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-12(2)10-13(3)17-21(19,20)18-8-6-14(7-9-18)11-16-15-4-5-15/h12-17H,4-11H2,1-3H3
InChIKeyRUIRPMVVZFFOAU-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.72
Rot. Bonds8

About 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide

4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide (PubChem CID 106028741) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide
PubChem CID106028741
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC Name4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide
SMILESCC(C)CC(C)NS(=O)(=O)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-12(2)10-13(3)17-21(19,20)18-8-6-14(7-9-18)11-16-15-4-5-15/h12-17H,4-11H2,1-3H3
InChIKeyRUIRPMVVZFFOAU-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106017048
N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 79600882
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide
CID 103466066
N-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 63855301
4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide
CID 106055915
4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 114140369
N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine
CID 62069812
4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide
CID 106081549
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106065679
N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
CID 63855296
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011
N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 63848083

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide (CID 106028741) is 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide is CC(C)CC(C)NS(=O)(=O)N1CCC(CNC2CC2)CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide?
The InChIKey is RUIRPMVVZFFOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-12(2)10-13(3)17-21(19,20)18-8-6-14(7-9-18)11-16-15-4-5-15/h12-17H,4-11H2,1-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide?
4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106028741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).