1-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylmethanesulfonamide

C8H14N2O2S — CID 67891811

IUPAC1-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1C=CC=C(N)C1
InChIInChI=1S/C8H14N2O2S/c1-10-13(11,12)6-7-3-2-4-8(9)5-7/h2-4,7,10H,5-6,9H2,1H3
InChIKeyOQGPYRJFSAPSQF-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.05
Rot. Bonds3

About 1-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylmethanesulfonamide

1-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylmethanesulfonamide (PubChem CID 67891811) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylmethanesulfonamide
PubChem CID67891811
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name1-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1C=CC=C(N)C1
InChIInChI=1S/C8H14N2O2S/c1-10-13(11,12)6-7-3-2-4-8(9)5-7/h2-4,7,10H,5-6,9H2,1H3
InChIKeyOQGPYRJFSAPSQF-UHFFFAOYSA-N
XLogP-0.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylmethanesulfonamide (CID 67891811) is 1-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylmethanesulfonamide is CNS(=O)(=O)CC1C=CC=C(N)C1.
What is the InChIKey of 1-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylmethanesulfonamide?
The InChIKey is OQGPYRJFSAPSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-10-13(11,12)6-7-3-2-4-8(9)5-7/h2-4,7,10H,5-6,9H2,1H3.
What are the key properties of 1-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylmethanesulfonamide?
1-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylmethanesulfonamide has a molecular weight of 202.28 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 67891811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).