N-[(1-methylcyclohexyl)methyl]propane-1-sulfonamide

C11H23NO2S — CID 103753781

IUPACN-[(1-methylcyclohexyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(C)CCCCC1
InChIInChI=1S/C11H23NO2S/c1-3-9-15(13,14)12-10-11(2)7-5-4-6-8-11/h12H,3-10H2,1-2H3
InChIKeyARMMUQSHOXNYHV-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.29
Rot. Bonds5

About N-[(1-methylcyclohexyl)methyl]propane-1-sulfonamide

N-[(1-methylcyclohexyl)methyl]propane-1-sulfonamide (PubChem CID 103753781) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]propane-1-sulfonamide
PubChem CID103753781
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-[(1-methylcyclohexyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(C)CCCCC1
InChIInChI=1S/C11H23NO2S/c1-3-9-15(13,14)12-10-11(2)7-5-4-6-8-11/h12H,3-10H2,1-2H3
InChIKeyARMMUQSHOXNYHV-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclohexyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]propane-1-sulfonamide (CID 103753781) is N-[(1-methylcyclohexyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1(C)CCCCC1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]propane-1-sulfonamide?
The InChIKey is ARMMUQSHOXNYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-9-15(13,14)12-10-11(2)7-5-4-6-8-11/h12H,3-10H2,1-2H3.
What are the key properties of N-[(1-methylcyclohexyl)methyl]propane-1-sulfonamide?
N-[(1-methylcyclohexyl)methyl]propane-1-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 103753781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).