1-cyano-N-[(1-methylcyclohexyl)methyl]methanesulfonamide

C10H18N2O2S — CID 103850525

IUPAC1-cyano-N-[(1-methylcyclohexyl)methyl]methanesulfonamide
SMILESCC1(CNS(=O)(=O)CC#N)CCCCC1
InChIInChI=1S/C10H18N2O2S/c1-10(5-3-2-4-6-10)9-12-15(13,14)8-7-11/h12H,2-6,8-9H2,1H3
InChIKeyLDVYKFSGGQQXCT-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.40
Rot. Bonds4

About 1-cyano-N-[(1-methylcyclohexyl)methyl]methanesulfonamide

1-cyano-N-[(1-methylcyclohexyl)methyl]methanesulfonamide (PubChem CID 103850525) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-cyano-N-[(1-methylcyclohexyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[(1-methylcyclohexyl)methyl]methanesulfonamide
PubChem CID103850525
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-cyano-N-[(1-methylcyclohexyl)methyl]methanesulfonamide
SMILESCC1(CNS(=O)(=O)CC#N)CCCCC1
InChIInChI=1S/C10H18N2O2S/c1-10(5-3-2-4-6-10)9-12-15(13,14)8-7-11/h12H,2-6,8-9H2,1H3
InChIKeyLDVYKFSGGQQXCT-UHFFFAOYSA-N
XLogP1.40
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(1-methylcyclohexyl)methyl]methanesulfonamide?
The IUPAC name of 1-cyano-N-[(1-methylcyclohexyl)methyl]methanesulfonamide (CID 103850525) is 1-cyano-N-[(1-methylcyclohexyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-cyano-N-[(1-methylcyclohexyl)methyl]methanesulfonamide?
The canonical SMILES for 1-cyano-N-[(1-methylcyclohexyl)methyl]methanesulfonamide is CC1(CNS(=O)(=O)CC#N)CCCCC1.
What is the InChIKey of 1-cyano-N-[(1-methylcyclohexyl)methyl]methanesulfonamide?
The InChIKey is LDVYKFSGGQQXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-10(5-3-2-4-6-10)9-12-15(13,14)8-7-11/h12H,2-6,8-9H2,1H3.
What are the key properties of 1-cyano-N-[(1-methylcyclohexyl)methyl]methanesulfonamide?
1-cyano-N-[(1-methylcyclohexyl)methyl]methanesulfonamide has a molecular weight of 230.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(1-methylcyclohexyl)methyl]methanesulfonamide is sourced from PubChem (CID 103850525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).