3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide

C13H26N2O2S2 — CID 106091366

IUPAC3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
SMILESCSC1CCCC(NS(=O)(=O)CCCNC2CC2)C1
InChIInChI=1S/C13H26N2O2S2/c1-18-13-5-2-4-12(10-13)15-19(16,17)9-3-8-14-11-6-7-11/h11-15H,2-10H2,1H3
InChIKeyYRUSRRCCCSXNNC-UHFFFAOYSA-N
MW306.50 g/mol
LogP1.72
Rot. Bonds8

About 3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide

3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide (PubChem CID 106091366) has the molecular formula C13H26N2O2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
PubChem CID106091366
Molecular FormulaC13H26N2O2S2
Molecular Weight306.50 g/mol
Exact Mass306.14
IUPAC Name3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
SMILESCSC1CCCC(NS(=O)(=O)CCCNC2CC2)C1
InChIInChI=1S/C13H26N2O2S2/c1-18-13-5-2-4-12(10-13)15-19(16,17)9-3-8-14-11-6-7-11/h11-15H,2-10H2,1H3
InChIKeyYRUSRRCCCSXNNC-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
CID 103697967
1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide
CID 103850413
methyl 4-[(3-methylsulfanylcyclopentyl)sulfamoyl]butanoate
CID 103697953
N-(4-methylpentyl)-3-methylsulfanylcyclohexan-1-amine
CID 102672223
4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide
CID 106064397
N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 114123735
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
CID 106059860
4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide
CID 106060306
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclohexane
CID 106091345
4-methyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65080083
3-(cyclopropylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 106090688

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide (CID 106091366) is 3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide is CSC1CCCC(NS(=O)(=O)CCCNC2CC2)C1.
What is the InChIKey of 3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide?
The InChIKey is YRUSRRCCCSXNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S2/c1-18-13-5-2-4-12(10-13)15-19(16,17)9-3-8-14-11-6-7-11/h11-15H,2-10H2,1H3.
What are the key properties of 3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide?
3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide has a molecular weight of 306.50 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide is sourced from PubChem (CID 106091366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).