3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide

C11H24N2O2S — CID 106032168

IUPAC3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
SMILESCCC(CC)NS(=O)(=O)CCCNC1CC1
InChIInChI=1S/C11H24N2O2S/c1-3-10(4-2)13-16(14,15)9-5-8-12-11-6-7-11/h10-13H,3-9H2,1-2H3
InChIKeyUKGSBLXQSUZEDB-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.24
Rot. Bonds9

About 3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide

3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide (PubChem CID 106032168) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
PubChem CID106032168
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
SMILESCCC(CC)NS(=O)(=O)CCCNC1CC1
InChIInChI=1S/C11H24N2O2S/c1-3-10(4-2)13-16(14,15)9-5-8-12-11-6-7-11/h10-13H,3-9H2,1-2H3
InChIKeyUKGSBLXQSUZEDB-UHFFFAOYSA-N
XLogP1.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(cyclopropylamino)-N-pentan-3-ylpropane-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

3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide
CID 106068345
3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide
CID 106066791
N-(1-cyclopropylbutan-2-yl)-3-(methylamino)propane-1-sulfonamide
CID 106063954
3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide
CID 114139088
3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
CID 106003094
3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 106070641
3-(cyclopropylamino)-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
CID 83147568
3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide
CID 106062793
N-(3-tert-butylsulfonylpropyl)cyclopropanamine
CID 64645174
N-[3-(2-methoxyethylsulfonyl)propyl]cyclopropanamine
CID 64647289
N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine
CID 63658882
N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine
CID 107757568

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide (CID 106032168) is 3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide is CCC(CC)NS(=O)(=O)CCCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide?
The InChIKey is UKGSBLXQSUZEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-10(4-2)13-16(14,15)9-5-8-12-11-6-7-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide?
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide is sourced from PubChem (CID 106032168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).