4-amino-N-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide

C12H26N2O2S — CID 55005041

IUPAC4-amino-N-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide
SMILESCC1CCCCC1N(C)S(=O)(=O)CCCCN
InChIInChI=1S/C12H26N2O2S/c1-11-7-3-4-8-12(11)14(2)17(15,16)10-6-5-9-13/h11-12H,3-10,13H2,1-2H3
InChIKeyBDCVGJNKAXSEEJ-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.57
Rot. Bonds6

About 4-amino-N-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide

4-amino-N-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide (PubChem CID 55005041) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide
PubChem CID55005041
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name4-amino-N-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide
SMILESCC1CCCCC1N(C)S(=O)(=O)CCCCN
InChIInChI=1S/C12H26N2O2S/c1-11-7-3-4-8-12(11)14(2)17(15,16)10-6-5-9-13/h11-12H,3-10,13H2,1-2H3
InChIKeyBDCVGJNKAXSEEJ-UHFFFAOYSA-N
XLogP1.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide (CID 55005041) is 4-amino-N-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide is CC1CCCCC1N(C)S(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide?
The InChIKey is BDCVGJNKAXSEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11-7-3-4-8-12(11)14(2)17(15,16)10-6-5-9-13/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide?
4-amino-N-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide is sourced from PubChem (CID 55005041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).