N-[(1-methylcyclohexyl)methyl]ethanesulfonamide

C10H21NO2S — CID 103753776

IUPACN-[(1-methylcyclohexyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(C)CCCCC1
InChIInChI=1S/C10H21NO2S/c1-3-14(12,13)11-9-10(2)7-5-4-6-8-10/h11H,3-9H2,1-2H3
InChIKeyREUNVVXVYVYXEF-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.90
Rot. Bonds4

About N-[(1-methylcyclohexyl)methyl]ethanesulfonamide

N-[(1-methylcyclohexyl)methyl]ethanesulfonamide (PubChem CID 103753776) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]ethanesulfonamide
PubChem CID103753776
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-[(1-methylcyclohexyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(C)CCCCC1
InChIInChI=1S/C10H21NO2S/c1-3-14(12,13)11-9-10(2)7-5-4-6-8-10/h11H,3-9H2,1-2H3
InChIKeyREUNVVXVYVYXEF-UHFFFAOYSA-N
XLogP1.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.90
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]ethanesulfonamide?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]ethanesulfonamide (CID 103753776) is N-[(1-methylcyclohexyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]ethanesulfonamide is CCS(=O)(=O)NCC1(C)CCCCC1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]ethanesulfonamide?
The InChIKey is REUNVVXVYVYXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-14(12,13)11-9-10(2)7-5-4-6-8-10/h11H,3-9H2,1-2H3.
What are the key properties of N-[(1-methylcyclohexyl)methyl]ethanesulfonamide?
N-[(1-methylcyclohexyl)methyl]ethanesulfonamide has a molecular weight of 219.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]ethanesulfonamide is sourced from PubChem (CID 103753776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).