1-cyclohexyl-N-(2-hydroxyethyl)-N-methylmethanesulfonamide

C10H21NO3S — CID 61453826

IUPAC1-cyclohexyl-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
SMILESCN(CCO)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C10H21NO3S/c1-11(7-8-12)15(13,14)9-10-5-3-2-4-6-10/h10,12H,2-9H2,1H3
InChIKeyIUMMYUWWPXPMPW-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.82
Rot. Bonds5

About 1-cyclohexyl-N-(2-hydroxyethyl)-N-methylmethanesulfonamide

1-cyclohexyl-N-(2-hydroxyethyl)-N-methylmethanesulfonamide (PubChem CID 61453826) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2-hydroxyethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
PubChem CID61453826
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-cyclohexyl-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
SMILESCN(CCO)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C10H21NO3S/c1-11(7-8-12)15(13,14)9-10-5-3-2-4-6-10/h10,12H,2-9H2,1H3
InChIKeyIUMMYUWWPXPMPW-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(2-hydroxyethyl)-N-methylmethanesulfonamide (CID 61453826) is 1-cyclohexyl-N-(2-hydroxyethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(2-hydroxyethyl)-N-methylmethanesulfonamide is CN(CCO)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
The InChIKey is IUMMYUWWPXPMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-11(7-8-12)15(13,14)9-10-5-3-2-4-6-10/h10,12H,2-9H2,1H3.
What are the key properties of 1-cyclohexyl-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
1-cyclohexyl-N-(2-hydroxyethyl)-N-methylmethanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2-hydroxyethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 61453826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).