N-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide

C13H28N2O2S — CID 114141536

IUPACN-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide
SMILESCCC1CCCC(NS(=O)(=O)CCCCNC)C1
InChIInChI=1S/C13H28N2O2S/c1-3-12-7-6-8-13(11-12)15-18(16,17)10-5-4-9-14-2/h12-15H,3-11H2,1-2H3
InChIKeyPCUXCZSTQQCCOL-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.87
Rot. Bonds8

About N-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide

N-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide (PubChem CID 114141536) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide
PubChem CID114141536
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide
SMILESCCC1CCCC(NS(=O)(=O)CCCCNC)C1
InChIInChI=1S/C13H28N2O2S/c1-3-12-7-6-8-13(11-12)15-18(16,17)10-5-4-9-14-2/h12-15H,3-11H2,1-2H3
InChIKeyPCUXCZSTQQCCOL-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'}

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Related Compounds

N-(3-ethylcyclohexyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106068607
2-amino-N-(3-ethylcyclohexyl)ethanesulfonamide
CID 64749798
N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 99810517
4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide
CID 106081409
N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide
CID 114141537
3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 64743190
4-(methylamino)-N-(thiolan-3-yl)butane-1-sulfonamide
CID 106086184
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
N-(3-aminocyclobutyl)butane-1-sulfonamide
CID 43597856
3-(methylamino)-N-(2-methylcyclopentyl)propane-1-sulfonamide
CID 106064308
N-(2,2-dimethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide
CID 114141661
N-(1-cyclopentylethyl)-4-(methylamino)butane-1-sulfonamide
CID 106066011

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide (CID 114141536) is N-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide is CCC1CCCC(NS(=O)(=O)CCCCNC)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide?
The InChIKey is PCUXCZSTQQCCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-3-12-7-6-8-13(11-12)15-18(16,17)10-5-4-9-14-2/h12-15H,3-11H2,1-2H3.
What are the key properties of N-(3-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide?
N-(3-ethylcyclohexyl)-4-(methylamino)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-ethylcyclohexyl)-4-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 114141536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).