N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide

C11H24N2O2S — CID 23563050

IUPACN-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide
SMILESC[C@H]1CCC[C@@](CN)(CCNS(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S/c1-10-4-3-5-11(8-10,9-12)6-7-13-16(2,14)15/h10,13H,3-9,12H2,1-2H3/t10-,11+/m0/s1
InChIKeyODGINAWRBMEMCV-WDEREUQCSA-N
MW248.39 g/mol
LogP1.08
Rot. Bonds5

About N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide

N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide (PubChem CID 23563050) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide
PubChem CID23563050
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide
SMILESC[C@H]1CCC[C@@](CN)(CCNS(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S/c1-10-4-3-5-11(8-10,9-12)6-7-13-16(2,14)15/h10,13H,3-9,12H2,1-2H3/t10-,11+/m0/s1
InChIKeyODGINAWRBMEMCV-WDEREUQCSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide (CID 23563050) is N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide is C[C@H]1CCC[C@@](CN)(CCNS(C)(=O)=O)C1.
What is the InChIKey of N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide?
The InChIKey is ODGINAWRBMEMCV-WDEREUQCSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10-4-3-5-11(8-10,9-12)6-7-13-16(2,14)15/h10,13H,3-9,12H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide?
N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclohexyl]ethyl]methanesulfonamide is sourced from PubChem (CID 23563050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).