[1-(cyclohexylamino)cyclohexyl]sulfamic acid

C12H24N2O3S — CID 174613416

IUPAC[1-(cyclohexylamino)cyclohexyl]sulfamic acid
SMILESO=S(=O)(O)NC1(NC2CCCCC2)CCCCC1
InChIInChI=1S/C12H24N2O3S/c15-18(16,17)14-12(9-5-2-6-10-12)13-11-7-3-1-4-8-11/h11,13-14H,1-10H2,(H,15,16,17)
InChIKeyMFANFMLGRQJKKY-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.96
Rot. Bonds4

About [1-(cyclohexylamino)cyclohexyl]sulfamic acid

[1-(cyclohexylamino)cyclohexyl]sulfamic acid (PubChem CID 174613416) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is [1-(cyclohexylamino)cyclohexyl]sulfamic acid.

Molecular Properties

Compound Name[1-(cyclohexylamino)cyclohexyl]sulfamic acid
PubChem CID174613416
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name[1-(cyclohexylamino)cyclohexyl]sulfamic acid
SMILESO=S(=O)(O)NC1(NC2CCCCC2)CCCCC1
InChIInChI=1S/C12H24N2O3S/c15-18(16,17)14-12(9-5-2-6-10-12)13-11-7-3-1-4-8-11/h11,13-14H,1-10H2,(H,15,16,17)
InChIKeyMFANFMLGRQJKKY-UHFFFAOYSA-N
XLogP1.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [1-(cyclohexylamino)cyclohexyl]sulfamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)cyclohexyl]sulfamic acid?
The IUPAC name of [1-(cyclohexylamino)cyclohexyl]sulfamic acid (CID 174613416) is [1-(cyclohexylamino)cyclohexyl]sulfamic acid.
What is the SMILES notation for [1-(cyclohexylamino)cyclohexyl]sulfamic acid?
The canonical SMILES for [1-(cyclohexylamino)cyclohexyl]sulfamic acid is O=S(=O)(O)NC1(NC2CCCCC2)CCCCC1.
What is the InChIKey of [1-(cyclohexylamino)cyclohexyl]sulfamic acid?
The InChIKey is MFANFMLGRQJKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c15-18(16,17)14-12(9-5-2-6-10-12)13-11-7-3-1-4-8-11/h11,13-14H,1-10H2,(H,15,16,17).
What are the key properties of [1-(cyclohexylamino)cyclohexyl]sulfamic acid?
[1-(cyclohexylamino)cyclohexyl]sulfamic acid has a molecular weight of 276.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)cyclohexyl]sulfamic acid is sourced from PubChem (CID 174613416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).