N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide

C13H28N2O2S — CID 114552211

IUPACN-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C13H28N2O2S/c1-4-14-9-5-6-10-18(16,17)15-12-7-8-13(2,3)11-12/h12,14-15H,4-11H2,1-3H3
InChIKeyCHSQBRUIHOTVIW-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.87
Rot. Bonds8

About N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide

N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide (PubChem CID 114552211) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide
PubChem CID114552211
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C13H28N2O2S/c1-4-14-9-5-6-10-18(16,17)15-12-7-8-13(2,3)11-12/h12,14-15H,4-11H2,1-3H3
InChIKeyCHSQBRUIHOTVIW-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-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-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide
CID 114548169
N-(3,3-dimethylcyclopentyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114552097
N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide
CID 115881104
N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide
CID 106075642
methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate
CID 115881165
4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide
CID 114142692
3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide
CID 106077359
N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 114548187
4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide
CID 116816465
3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide
CID 114550633
N-(3-methoxycyclopentyl)-4-(propylamino)butane-1-sulfonamide
CID 106093077
4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide
CID 106075175

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide (CID 114552211) is N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide is CCNCCCCS(=O)(=O)NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide?
The InChIKey is CHSQBRUIHOTVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-14-9-5-6-10-18(16,17)15-12-7-8-13(2,3)11-12/h12,14-15H,4-11H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide?
N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide is sourced from PubChem (CID 114552211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).