4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide

C16H26N2O2S — CID 106031297

IUPAC4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(CCNC2CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-4-16(2,3)18-21(19,20)15-9-5-13(6-10-15)11-12-17-14-7-8-14/h5-6,9-10,14,17-18H,4,7-8,11-12H2,1-3H3
InChIKeyZYBWSEOTOPXZJQ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.45
Rot. Bonds8

About 4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide

4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106031297) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID106031297
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(CCNC2CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-4-16(2,3)18-21(19,20)15-9-5-13(6-10-15)11-12-17-14-7-8-14/h5-6,9-10,14,17-18H,4,7-8,11-12H2,1-3H3
InChIKeyZYBWSEOTOPXZJQ-UHFFFAOYSA-N
XLogP2.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
CID 19682071
N-(2-methylbutan-2-yl)-4-[2-(propylamino)ethyl]benzenesulfonamide
CID 106031498
N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 106031454
4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 106046169
4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 106032282
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072287
5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide
CID 106031617
4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 841727
4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039
N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide
CID 43598649
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 106031297) is 4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1ccc(CCNC2CC2)cc1.
What is the InChIKey of 4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is ZYBWSEOTOPXZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-16(2,3)18-21(19,20)15-9-5-13(6-10-15)11-12-17-14-7-8-14/h5-6,9-10,14,17-18H,4,7-8,11-12H2,1-3H3.
What are the key properties of 4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide?
4-[2-(cyclopropylamino)ethyl]-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.45, 8 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-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106031297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).