3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide

C15H29N3O2S — CID 106091198

IUPAC3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
SMILESCC(C)(NS(=O)(=O)N1CCCC(CNC2CC2)C1)C1CC1
InChIInChI=1S/C15H29N3O2S/c1-15(2,13-5-6-13)17-21(19,20)18-9-3-4-12(11-18)10-16-14-7-8-14/h12-14,16-17H,3-11H2,1-2H3
InChIKeyKTEBATLQSVPLFB-UHFFFAOYSA-N
MW315.48 g/mol
LogP1.47
Rot. Bonds7

About 3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide

3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide (PubChem CID 106091198) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
PubChem CID106091198
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
SMILESCC(C)(NS(=O)(=O)N1CCCC(CNC2CC2)C1)C1CC1
InChIInChI=1S/C15H29N3O2S/c1-15(2,13-5-6-13)17-21(19,20)18-9-3-4-12(11-18)10-16-14-7-8-14/h12-14,16-17H,3-11H2,1-2H3
InChIKeyKTEBATLQSVPLFB-UHFFFAOYSA-N
XLogP1.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine
CID 63880154
propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate
CID 114467189
3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106054051
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63878245
3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide
CID 106079419
N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106031594
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]cyclopropanamine
CID 63878417
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide
CID 103466066
N-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 63855301
3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106424009
3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
CID 81064046
N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine
CID 79612688

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide (CID 106091198) is 3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide is CC(C)(NS(=O)(=O)N1CCCC(CNC2CC2)C1)C1CC1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide?
The InChIKey is KTEBATLQSVPLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-15(2,13-5-6-13)17-21(19,20)18-9-3-4-12(11-18)10-16-14-7-8-14/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide?
3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide has a molecular weight of 315.48 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106091198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).