(4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone

C18H20N2OS — CID 827133

IUPAC(4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone
SMILESCN1CCN(C(=O)c2ccccc2Sc2ccccc2)CC1
InChIInChI=1S/C18H20N2OS/c1-19-11-13-20(14-12-19)18(21)16-9-5-6-10-17(16)22-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyNPCOWJFJUSKVMY-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.23
Rot. Bonds3

About (4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone

(4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone (PubChem CID 827133) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone
PubChem CID827133
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name(4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone
SMILESCN1CCN(C(=O)c2ccccc2Sc2ccccc2)CC1
InChIInChI=1S/C18H20N2OS/c1-19-11-13-20(14-12-19)18(21)16-9-5-6-10-17(16)22-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyNPCOWJFJUSKVMY-UHFFFAOYSA-N
XLogP3.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)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

(1-oxo-1,4-thiazinan-4-yl)-(2-phenylsulfanylphenyl)methanone
CID 71998661
2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone
CID 51057854
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone
CID 119546478
1-[5-chloro-2-[2-(4-methylpiperazine-1-carbonyl)phenyl]sulfanylphenyl]ethanone;hydrochloride
CID 3022126
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
[2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenyl]sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone
CID 1043991
2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid
CID 114199768
[2-(4-nitrophenyl)sulfanylphenyl]-pyrrolidin-1-ylmethanone
CID 2976913
[2-(4-nitrophenyl)sulfanylphenyl]-piperidin-1-ylmethanone
CID 806492
4-acetyl-6-(4-methylpiperazine-1-carbonyl)benzene-1,3-dicarboxylic acid
CID 58794660
(2-iodo-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 103615023
[2-(4-methylpiperazine-1-carbonyl)phenyl] acetate
CID 3364614

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone (CID 827133) is (4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone is CN1CCN(C(=O)c2ccccc2Sc2ccccc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone?
The InChIKey is NPCOWJFJUSKVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-19-11-13-20(14-12-19)18(21)16-9-5-6-10-17(16)22-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone?
(4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone has a molecular weight of 312.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone is sourced from PubChem (CID 827133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).