[(1R,3R)-1-(aminomethyl)-3-methylcyclohexyl]methanesulfonamide

C9H20N2O2S — CID 23563039

IUPAC[(1R,3R)-1-(aminomethyl)-3-methylcyclohexyl]methanesulfonamide
SMILESC[C@@H]1CCC[C@@](CN)(CS(N)(=O)=O)C1
InChIInChI=1S/C9H20N2O2S/c1-8-3-2-4-9(5-8,6-10)7-14(11,12)13/h8H,2-7,10H2,1H3,(H2,11,12,13)/t8-,9-/m1/s1
InChIKeyJVTOSAVRBRSNKM-RKDXNWHRSA-N
MW220.34 g/mol
LogP0.43
Rot. Bonds3

About [(1R,3R)-1-(aminomethyl)-3-methylcyclohexyl]methanesulfonamide

[(1R,3R)-1-(aminomethyl)-3-methylcyclohexyl]methanesulfonamide (PubChem CID 23563039) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is [(1R,3R)-1-(aminomethyl)-3-methylcyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name[(1R,3R)-1-(aminomethyl)-3-methylcyclohexyl]methanesulfonamide
PubChem CID23563039
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name[(1R,3R)-1-(aminomethyl)-3-methylcyclohexyl]methanesulfonamide
SMILESC[C@@H]1CCC[C@@](CN)(CS(N)(=O)=O)C1
InChIInChI=1S/C9H20N2O2S/c1-8-3-2-4-9(5-8,6-10)7-14(11,12)13/h8H,2-7,10H2,1H3,(H2,11,12,13)/t8-,9-/m1/s1
InChIKeyJVTOSAVRBRSNKM-RKDXNWHRSA-N
XLogP0.43
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-1-(aminomethyl)-3-methylcyclohexyl]methanesulfonamide?
The IUPAC name of [(1R,3R)-1-(aminomethyl)-3-methylcyclohexyl]methanesulfonamide (CID 23563039) is [(1R,3R)-1-(aminomethyl)-3-methylcyclohexyl]methanesulfonamide.
What is the SMILES notation for [(1R,3R)-1-(aminomethyl)-3-methylcyclohexyl]methanesulfonamide?
The canonical SMILES for [(1R,3R)-1-(aminomethyl)-3-methylcyclohexyl]methanesulfonamide is C[C@@H]1CCC[C@@](CN)(CS(N)(=O)=O)C1.
What is the InChIKey of [(1R,3R)-1-(aminomethyl)-3-methylcyclohexyl]methanesulfonamide?
The InChIKey is JVTOSAVRBRSNKM-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8-3-2-4-9(5-8,6-10)7-14(11,12)13/h8H,2-7,10H2,1H3,(H2,11,12,13)/t8-,9-/m1/s1.
What are the key properties of [(1R,3R)-1-(aminomethyl)-3-methylcyclohexyl]methanesulfonamide?
[(1R,3R)-1-(aminomethyl)-3-methylcyclohexyl]methanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-1-(aminomethyl)-3-methylcyclohexyl]methanesulfonamide is sourced from PubChem (CID 23563039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).