N-[(1R,2R)-2-aminocyclohexyl]cyclopropanesulfonamide;hydrochloride

C9H19ClN2O2S — CID 119033460

IUPACN-[(1R,2R)-2-aminocyclohexyl]cyclopropanesulfonamide;hydrochloride
SMILESCl.N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1
InChIInChI=1S/C9H18N2O2S.ClH/c10-8-3-1-2-4-9(8)11-14(12,13)7-5-6-7;/h7-9,11H,1-6,10H2;1H/t8-,9-;/m1./s1
InChIKeyIWJCMADBULVEGX-VTLYIQCISA-N
MW254.78 g/mol
LogP0.76
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]cyclopropanesulfonamide;hydrochloride

N-[(1R,2R)-2-aminocyclohexyl]cyclopropanesulfonamide;hydrochloride (PubChem CID 119033460) has the molecular formula C9H19ClN2O2S and a molecular weight of 254.78 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]cyclopropanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]cyclopropanesulfonamide;hydrochloride
PubChem CID119033460
Molecular FormulaC9H19ClN2O2S
Molecular Weight254.78 g/mol
Exact Mass254.09
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]cyclopropanesulfonamide;hydrochloride
SMILESCl.N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1
InChIInChI=1S/C9H18N2O2S.ClH/c10-8-3-1-2-4-9(8)11-14(12,13)7-5-6-7;/h7-9,11H,1-6,10H2;1H/t8-,9-;/m1./s1
InChIKeyIWJCMADBULVEGX-VTLYIQCISA-N
XLogP0.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]cyclopropanesulfonamide;hydrochloride?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]cyclopropanesulfonamide;hydrochloride (CID 119033460) is N-[(1R,2R)-2-aminocyclohexyl]cyclopropanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]cyclopropanesulfonamide;hydrochloride?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]cyclopropanesulfonamide;hydrochloride is Cl.N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]cyclopropanesulfonamide;hydrochloride?
The InChIKey is IWJCMADBULVEGX-VTLYIQCISA-N. The full InChI is InChI=1S/C9H18N2O2S.ClH/c10-8-3-1-2-4-9(8)11-14(12,13)7-5-6-7;/h7-9,11H,1-6,10H2;1H/t8-,9-;/m1./s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]cyclopropanesulfonamide;hydrochloride?
N-[(1R,2R)-2-aminocyclohexyl]cyclopropanesulfonamide;hydrochloride has a molecular weight of 254.78 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]cyclopropanesulfonamide;hydrochloride is sourced from PubChem (CID 119033460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).