4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide

C12H26N2O3S — CID 54994074

IUPAC4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H26N2O3S/c13-8-4-5-11-18(16,17)14(9-10-15)12-6-2-1-3-7-12/h12,15H,1-11,13H2
InChIKeyQUPGYGWMNMTDMU-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.68
Rot. Bonds8

About 4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide

4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide (PubChem CID 54994074) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide
PubChem CID54994074
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H26N2O3S/c13-8-4-5-11-18(16,17)14(9-10-15)12-6-2-1-3-7-12/h12,15H,1-11,13H2
InChIKeyQUPGYGWMNMTDMU-UHFFFAOYSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide (CID 54994074) is 4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide is NCCCCS(=O)(=O)N(CCO)C1CCCCC1.
What is the InChIKey of 4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
The InChIKey is QUPGYGWMNMTDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c13-8-4-5-11-18(16,17)14(9-10-15)12-6-2-1-3-7-12/h12,15H,1-11,13H2.
What are the key properties of 4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclohexyl-N-(2-hydroxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 54994074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).