(2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

C15H22N2OS — CID 107036373

IUPAC(2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCc1ccc(S)cc1C(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H22N2OS/c1-10-5-6-13(19)7-14(10)15(18)17-8-11(2)16(4)12(3)9-17/h5-7,11-12,19H,8-9H2,1-4H3
InChIKeyUGWTWPSKFKINIO-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.45
Rot. Bonds1

About (2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

(2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 107036373) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is (2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID107036373
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name(2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCc1ccc(S)cc1C(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H22N2OS/c1-10-5-6-13(19)7-14(10)15(18)17-8-11(2)16(4)12(3)9-17/h5-7,11-12,19H,8-9H2,1-4H3
InChIKeyUGWTWPSKFKINIO-UHFFFAOYSA-N
XLogP2.45
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone 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

(2-methyl-5-sulfanylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 107031826
(3-aminopyrrolidin-1-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107027847
(2,4-dihydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 104873383
(2-methyl-5-sulfanylphenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 107030704
6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide
CID 107026180
(2-methyl-5-sulfanylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107026150
2-(2-methyl-5-sulfanylbenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 107033749
(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662344
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107036783
3-azaspiro[5.5]undecan-3-yl-(2-methyl-5-sulfanylphenyl)methanone
CID 107028893
(2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 142424231
(2-fluoro-4-hydroxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 104873399

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 107036373) is (2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is Cc1ccc(S)cc1C(=O)N1CC(C)N(C)C(C)C1.
What is the InChIKey of (2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is UGWTWPSKFKINIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-5-6-13(19)7-14(10)15(18)17-8-11(2)16(4)12(3)9-17/h5-7,11-12,19H,8-9H2,1-4H3.
What are the key properties of (2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
(2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 278.42 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 107036373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).