1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide

C10H21NO3S — CID 61453745

IUPAC1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide
SMILESCC(CO)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C10H21NO3S/c1-9(7-12)11-15(13,14)8-10-5-3-2-4-6-10/h9-12H,2-8H2,1H3
InChIKeyXKBHVWNYFASADF-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.87
Rot. Bonds5

About 1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide

1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide (PubChem CID 61453745) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide
PubChem CID61453745
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide
SMILESCC(CO)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C10H21NO3S/c1-9(7-12)11-15(13,14)8-10-5-3-2-4-6-10/h9-12H,2-8H2,1H3
InChIKeyXKBHVWNYFASADF-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide (CID 61453745) is 1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide is CC(CO)NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide?
The InChIKey is XKBHVWNYFASADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(7-12)11-15(13,14)8-10-5-3-2-4-6-10/h9-12H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide?
1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide is sourced from PubChem (CID 61453745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).