N-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide

C10H17NO2S — CID 90147875

IUPACN-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide
SMILESCC(C)C1=CC=CC(NS(C)(=O)=O)C1
InChIInChI=1S/C10H17NO2S/c1-8(2)9-5-4-6-10(7-9)11-14(3,12)13/h4-6,8,10-11H,7H2,1-3H3
InChIKeyWBJIIPUZSSBSIQ-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.45
Rot. Bonds3

About N-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide

N-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide (PubChem CID 90147875) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is N-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide
PubChem CID90147875
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC NameN-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide
SMILESCC(C)C1=CC=CC(NS(C)(=O)=O)C1
InChIInChI=1S/C10H17NO2S/c1-8(2)9-5-4-6-10(7-9)11-14(3,12)13/h4-6,8,10-11H,7H2,1-3H3
InChIKeyWBJIIPUZSSBSIQ-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide?
The IUPAC name of N-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide (CID 90147875) is N-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide.
What is the SMILES notation for N-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide?
The canonical SMILES for N-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide is CC(C)C1=CC=CC(NS(C)(=O)=O)C1.
What is the InChIKey of N-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide?
The InChIKey is WBJIIPUZSSBSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-8(2)9-5-4-6-10(7-9)11-14(3,12)13/h4-6,8,10-11H,7H2,1-3H3.
What are the key properties of N-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide?
N-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide has a molecular weight of 215.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)methanesulfonamide is sourced from PubChem (CID 90147875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).