ethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide

C10H19NOS — CID 163229347

IUPACethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide
SMILESCC.CC1=CC=C(NS(C)=O)CC1
InChIInChI=1S/C8H13NOS.C2H6/c1-7-3-5-8(6-4-7)9-11(2)10;1-2/h3,5,9H,4,6H2,1-2H3;1-2H3
InChIKeyIDCKFDHYJUQOJI-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.52
Rot. Bonds2

About ethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide

ethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide (PubChem CID 163229347) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is ethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide.

Molecular Properties

Compound Nameethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide
PubChem CID163229347
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Nameethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide
SMILESCC.CC1=CC=C(NS(C)=O)CC1
InChIInChI=1S/C8H13NOS.C2H6/c1-7-3-5-8(6-4-7)9-11(2)10;1-2/h3,5,9H,4,6H2,1-2H3;1-2H3
InChIKeyIDCKFDHYJUQOJI-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 153344986
ethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
CID 144542686
N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine
CID 143015528
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
CID 142004310
1-chloro-4-methylcyclohexa-1,3-diene;ethane
CID 143258352
ethane;methyl 4-methylcyclohexa-1,3-diene-1-carboxylate
CID 142945480
ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine
CID 143366498
4-methylcyclohexa-1,3-diene-1-carboxylic acid
CID 91174535
4-methyl-N-[4-[1-methyl-5-[4-[(4-methylcyclohexa-1,3-dien-1-yl)amino]phenyl]pyrrol-2-yl]phenyl]aniline
CID 154692023
2-bromo-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanone
CID 123526771
ethane;(4-methylcyclohexa-1,3-dien-1-yl) acetate
CID 145345549
1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene
CID 123323176

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide?
The IUPAC name of ethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide (CID 163229347) is ethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide.
What is the SMILES notation for ethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide?
The canonical SMILES for ethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide is CC.CC1=CC=C(NS(C)=O)CC1.
What is the InChIKey of ethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide?
The InChIKey is IDCKFDHYJUQOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS.C2H6/c1-7-3-5-8(6-4-7)9-11(2)10;1-2/h3,5,9H,4,6H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide?
ethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide has a molecular weight of 201.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide is sourced from PubChem (CID 163229347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).