N-(4-aminocyclohexyl)methanesulfonamide;hydrochloride

C7H17ClN2O2S — CID 54594800

IUPACN-(4-aminocyclohexyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-12(10,11)9-7-4-2-6(8)3-5-7;/h6-7,9H,2-5,8H2,1H3;1H
InChIKeyHCBNNYJYULWEMU-UHFFFAOYSA-N
MW228.74 g/mol
LogP0.23
Rot. Bonds2

About N-(4-aminocyclohexyl)methanesulfonamide;hydrochloride

N-(4-aminocyclohexyl)methanesulfonamide;hydrochloride (PubChem CID 54594800) has the molecular formula C7H17ClN2O2S and a molecular weight of 228.74 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)methanesulfonamide;hydrochloride
PubChem CID54594800
Molecular FormulaC7H17ClN2O2S
Molecular Weight228.74 g/mol
Exact Mass228.07
IUPAC NameN-(4-aminocyclohexyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-12(10,11)9-7-4-2-6(8)3-5-7;/h6-7,9H,2-5,8H2,1H3;1H
InChIKeyHCBNNYJYULWEMU-UHFFFAOYSA-N
XLogP0.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)methanesulfonamide;hydrochloride (CID 54594800) is N-(4-aminocyclohexyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)methanesulfonamide;hydrochloride is CS(=O)(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)methanesulfonamide;hydrochloride?
The InChIKey is HCBNNYJYULWEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S.ClH/c1-12(10,11)9-7-4-2-6(8)3-5-7;/h6-7,9H,2-5,8H2,1H3;1H.
What are the key properties of N-(4-aminocyclohexyl)methanesulfonamide;hydrochloride?
N-(4-aminocyclohexyl)methanesulfonamide;hydrochloride has a molecular weight of 228.74 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 54594800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).