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

C14H29N3O2S2 — CID 106080127

IUPAC2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide
SMILESCSCCC(C)NS(=O)(=O)N1CCCCC1CNC1CC1
InChIInChI=1S/C14H29N3O2S2/c1-12(8-10-20-2)16-21(18,19)17-9-4-3-5-14(17)11-15-13-6-7-13/h12-16H,3-11H2,1-2H3
InChIKeySTBBMRYBHUBMSM-UHFFFAOYSA-N
MW335.54 g/mol
LogP1.57
Rot. Bonds9

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

2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide (PubChem CID 106080127) has the molecular formula C14H29N3O2S2 and a molecular weight of 335.54 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide
PubChem CID106080127
Molecular FormulaC14H29N3O2S2
Molecular Weight335.54 g/mol
Exact Mass335.17
IUPAC Name2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide
SMILESCSCCC(C)NS(=O)(=O)N1CCCCC1CNC1CC1
InChIInChI=1S/C14H29N3O2S2/c1-12(8-10-20-2)16-21(18,19)17-9-4-3-5-14(17)11-15-13-6-7-13/h12-16H,3-11H2,1-2H3
InChIKeySTBBMRYBHUBMSM-UHFFFAOYSA-N
XLogP1.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106080313
2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide
CID 106074286
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761
2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 106046357
N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine
CID 63878433
2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide
CID 106032299
N-(4-methylsulfanylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106078191
2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide
CID 106066812
N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106083879
2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide
CID 106088999
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078074

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide (CID 106080127) is 2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide is CSCCC(C)NS(=O)(=O)N1CCCCC1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide?
The InChIKey is STBBMRYBHUBMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S2/c1-12(8-10-20-2)16-21(18,19)17-9-4-3-5-14(17)11-15-13-6-7-13/h12-16H,3-11H2,1-2H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide?
2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide has a molecular weight of 335.54 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106080127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).