methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane

C12H17NOS — CID 143971562

IUPACmethylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane
SMILESC=S(=O)(c1ccc(C)cc1)N1CCCC1
InChIInChI=1S/C12H17NOS/c1-11-5-7-12(8-6-11)15(2,14)13-9-3-4-10-13/h5-8H,2-4,9-10H2,1H3
InChIKeyGCXUMHOBOKDJDX-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.08
Rot. Bonds2

About methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane

methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane (PubChem CID 143971562) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane.

Molecular Properties

Compound Namemethylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane
PubChem CID143971562
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Namemethylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane
SMILESC=S(=O)(c1ccc(C)cc1)N1CCCC1
InChIInChI=1S/C12H17NOS/c1-11-5-7-12(8-6-11)15(2,14)13-9-3-4-10-13/h5-8H,2-4,9-10H2,1H3
InChIKeyGCXUMHOBOKDJDX-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane 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

1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
(8Z)-1,6-bis-(4-methylphenyl)sulfonyl-2,3,4,5,7,10-hexahydro-1,6-diazecine
CID 102269003
(11E)-1-(4-methylphenyl)sulfonyl-1-azacyclohenicos-11-ene
CID 11396698
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
bis(cyclopentane);bis(4-methylbenzenesulfonic acid);titanium(2+)
CID 23230882
1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 2354155
1,2,3-tris-(4-methylphenyl)sulfonyltriazonane
CID 19101087
4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide
CID 132943058
3-tert-butyl-1-(4-methylphenyl)sulfonylazepane
CID 171769023
cyclopentyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 38838505

Frequently Asked Questions

What is the IUPAC name of methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane?
The IUPAC name of methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane (CID 143971562) is methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane.
What is the SMILES notation for methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane?
The canonical SMILES for methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane is C=S(=O)(c1ccc(C)cc1)N1CCCC1.
What is the InChIKey of methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane?
The InChIKey is GCXUMHOBOKDJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-11-5-7-12(8-6-11)15(2,14)13-9-3-4-10-13/h5-8H,2-4,9-10H2,1H3.
What are the key properties of methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane?
methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane has a molecular weight of 223.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane is sourced from PubChem (CID 143971562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).