4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide

C15H31N3O2S — CID 103466066

IUPAC4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-4-15(2,3)12-17-21(19,20)18-9-7-13(8-10-18)11-16-14-5-6-14/h13-14,16-17H,4-12H2,1-3H3
InChIKeyBFUZSXQOMFFBSF-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.72
Rot. Bonds8

About 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide

4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide (PubChem CID 103466066) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide
PubChem CID103466066
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC Name4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-4-15(2,3)12-17-21(19,20)18-9-7-13(8-10-18)11-16-14-5-6-14/h13-14,16-17H,4-12H2,1-3H3
InChIKeyBFUZSXQOMFFBSF-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

N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103465953
4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide
CID 106055915
4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106017048
4-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
CID 106079875
N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine
CID 62069812
4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide
CID 106028741
4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106423891
N-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 63855301
4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide
CID 86784586
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106091198
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide (CID 103466066) is 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide is CCC(C)(C)CNS(=O)(=O)N1CCC(CNC2CC2)CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide?
The InChIKey is BFUZSXQOMFFBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-4-15(2,3)12-17-21(19,20)18-9-7-13(8-10-18)11-16-14-5-6-14/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide?
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)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-(2,2-dimethylbutyl)piperidine-1-sulfonamide is sourced from PubChem (CID 103466066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).