N-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide

C8H14N2O2S — CID 70130756

IUPACN-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide
SMILESCC1(NS(C)(=O)=O)C=CC=CC1N
InChIInChI=1S/C8H14N2O2S/c1-8(10-13(2,11)12)6-4-3-5-7(8)9/h3-7,10H,9H2,1-2H3
InChIKeyJKQACIHNBRCMSU-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.25
Rot. Bonds2

About N-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide

N-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide (PubChem CID 70130756) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide
PubChem CID70130756
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC NameN-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide
SMILESCC1(NS(C)(=O)=O)C=CC=CC1N
InChIInChI=1S/C8H14N2O2S/c1-8(10-13(2,11)12)6-4-3-5-7(8)9/h3-7,10H,9H2,1-2H3
InChIKeyJKQACIHNBRCMSU-UHFFFAOYSA-N
XLogP-0.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide?
The IUPAC name of N-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide (CID 70130756) is N-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide.
What is the SMILES notation for N-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide?
The canonical SMILES for N-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide is CC1(NS(C)(=O)=O)C=CC=CC1N.
What is the InChIKey of N-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide?
The InChIKey is JKQACIHNBRCMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-8(10-13(2,11)12)6-4-3-5-7(8)9/h3-7,10H,9H2,1-2H3.
What are the key properties of N-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide?
N-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide has a molecular weight of 202.28 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide is sourced from PubChem (CID 70130756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).