(4-cyclohexyl-2-methylbutyl)sulfamic acid

C11H23NO3S — CID 175465643

IUPAC(4-cyclohexyl-2-methylbutyl)sulfamic acid
SMILESCC(CCC1CCCCC1)CNS(=O)(=O)O
InChIInChI=1S/C11H23NO3S/c1-10(9-12-16(13,14)15)7-8-11-5-3-2-4-6-11/h10-12H,2-9H2,1H3,(H,13,14,15)
InChIKeyKKCZJLMLYUVYAM-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.38
Rot. Bonds6

About (4-cyclohexyl-2-methylbutyl)sulfamic acid

(4-cyclohexyl-2-methylbutyl)sulfamic acid (PubChem CID 175465643) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is (4-cyclohexyl-2-methylbutyl)sulfamic acid.

Molecular Properties

Compound Name(4-cyclohexyl-2-methylbutyl)sulfamic acid
PubChem CID175465643
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name(4-cyclohexyl-2-methylbutyl)sulfamic acid
SMILESCC(CCC1CCCCC1)CNS(=O)(=O)O
InChIInChI=1S/C11H23NO3S/c1-10(9-12-16(13,14)15)7-8-11-5-3-2-4-6-11/h10-12H,2-9H2,1H3,(H,13,14,15)
InChIKeyKKCZJLMLYUVYAM-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 24796786
CID 24796786
CID 24796788
CID 24796788
CID 24796785
CID 24796785
CID 24796787
CID 24796787
CID 21128926
CID 21128926
CID 13115369
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CID 13115373
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CID 24837057
CID 24837057

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyl-2-methylbutyl)sulfamic acid?
The IUPAC name of (4-cyclohexyl-2-methylbutyl)sulfamic acid (CID 175465643) is (4-cyclohexyl-2-methylbutyl)sulfamic acid.
What is the SMILES notation for (4-cyclohexyl-2-methylbutyl)sulfamic acid?
The canonical SMILES for (4-cyclohexyl-2-methylbutyl)sulfamic acid is CC(CCC1CCCCC1)CNS(=O)(=O)O.
What is the InChIKey of (4-cyclohexyl-2-methylbutyl)sulfamic acid?
The InChIKey is KKCZJLMLYUVYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-10(9-12-16(13,14)15)7-8-11-5-3-2-4-6-11/h10-12H,2-9H2,1H3,(H,13,14,15).
What are the key properties of (4-cyclohexyl-2-methylbutyl)sulfamic acid?
(4-cyclohexyl-2-methylbutyl)sulfamic acid has a molecular weight of 249.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyl-2-methylbutyl)sulfamic acid is sourced from PubChem (CID 175465643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).