4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide

C16H26N2O2S — CID 106046169

IUPAC4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(CCNC2CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-4-13(2)18-21(19,20)16-9-5-14(6-10-16)11-12-17-15-7-8-15/h5-6,9-10,13,15,17-18H,3-4,7-8,11-12H2,1-2H3
InChIKeyKXWMSGDJYXCELH-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.45
Rot. Bonds9

About 4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide

4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide (PubChem CID 106046169) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
PubChem CID106046169
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(CCNC2CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-4-13(2)18-21(19,20)16-9-5-14(6-10-16)11-12-17-15-7-8-15/h5-6,9-10,13,15,17-18H,3-4,7-8,11-12H2,1-2H3
InChIKeyKXWMSGDJYXCELH-UHFFFAOYSA-N
XLogP2.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-pentan-2-ylbenzenesulfonamide
CID 19681870
5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide
CID 106046633
4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031297
1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide
CID 106046344
4-(cyanomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 79185646
4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 106032282
N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
CID 82262237
4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 43506825
3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 8893165
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide (CID 106046169) is 4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1ccc(CCNC2CC2)cc1.
What is the InChIKey of 4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is KXWMSGDJYXCELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-4-13(2)18-21(19,20)16-9-5-14(6-10-16)11-12-17-15-7-8-15/h5-6,9-10,13,15,17-18H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide?
4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 106046169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).