N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide

C7H16N2O2S — CID 69344413

IUPACN-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h6-7,9H,2-5,8H2,1H3/t6-,7-/m1/s1
InChIKeyQSISIEZCYJFVIK-RNFRBKRXSA-N
MW192.28 g/mol
LogP-0.19
Rot. Bonds2

About N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide

N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide (PubChem CID 69344413) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide
PubChem CID69344413
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C7H16N2O2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h6-7,9H,2-5,8H2,1H3/t6-,7-/m1/s1
InChIKeyQSISIEZCYJFVIK-RNFRBKRXSA-N
XLogP-0.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.19
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]methanesulfonamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide (CID 69344413) is N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCCC[C@H]1N.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide?
The InChIKey is QSISIEZCYJFVIK-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h6-7,9H,2-5,8H2,1H3/t6-,7-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide?
N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide has a molecular weight of 192.28 g/mol, XLogP of -0.19, 2 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]methanesulfonamide is sourced from PubChem (CID 69344413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).