N-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide

C9H15NO3S — CID 170060778

IUPACN-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide
SMILESCOC1=CC(C)=C(NS(C)(=O)=O)CC1
InChIInChI=1S/C9H15NO3S/c1-7-6-8(13-2)4-5-9(7)10-14(3,11)12/h6,10H,4-5H2,1-3H3
InChIKeyOHQDBUWHNIPEOA-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.13
Rot. Bonds3

About N-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide

N-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide (PubChem CID 170060778) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide
PubChem CID170060778
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC NameN-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide
SMILESCOC1=CC(C)=C(NS(C)(=O)=O)CC1
InChIInChI=1S/C9H15NO3S/c1-7-6-8(13-2)4-5-9(7)10-14(3,11)12/h6,10H,4-5H2,1-3H3
InChIKeyOHQDBUWHNIPEOA-UHFFFAOYSA-N
XLogP1.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide?
The IUPAC name of N-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide (CID 170060778) is N-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide.
What is the SMILES notation for N-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide?
The canonical SMILES for N-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide is COC1=CC(C)=C(NS(C)(=O)=O)CC1.
What is the InChIKey of N-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide?
The InChIKey is OHQDBUWHNIPEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-7-6-8(13-2)4-5-9(7)10-14(3,11)12/h6,10H,4-5H2,1-3H3.
What are the key properties of N-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide?
N-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide has a molecular weight of 217.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide is sourced from PubChem (CID 170060778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).