1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine

C14H22N2S — CID 113473072

IUPAC1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine
SMILESCSCC(C)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C14H22N2S/c1-12(11-17-2)16-9-8-15-14(10-16)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3
InChIKeyMTYQVMGJYAZOMT-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.38
Rot. Bonds4

About 1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine

1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine (PubChem CID 113473072) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine.

Molecular Properties

Compound Name1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine
PubChem CID113473072
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine
SMILESCSCC(C)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C14H22N2S/c1-12(11-17-2)16-9-8-15-14(10-16)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3
InChIKeyMTYQVMGJYAZOMT-UHFFFAOYSA-N
XLogP2.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine 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-methylpentan-2-yl)-3-phenylpiperazine
CID 64924253
1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane
CID 64945308
1-(1-cyclohexylethyl)-3-phenylpiperazine
CID 64953769
1-chloro-3-phenylpiperazine
CID 18428014
1-(2-methylsulfanylphenyl)-3-phenylpiperazine
CID 107646407
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenylpiperazine
CID 64918287
(3R)-1-methyl-3-phenyl-1,4-diazepane
CID 94983002
1-(2,2-difluoroethyl)-3-phenylpiperazine
CID 64834472
1-(1-cyclopropylbutan-2-yl)-3-phenyl-1,4-diazepane
CID 64949626
(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
1-(2-ethylsulfanylethyl)-3-phenylpiperazine
CID 113474467
2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole
CID 64949839

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine?
The IUPAC name of 1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine (CID 113473072) is 1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine.
What is the SMILES notation for 1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine?
The canonical SMILES for 1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine is CSCC(C)N1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine?
The InChIKey is MTYQVMGJYAZOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-12(11-17-2)16-9-8-15-14(10-16)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3.
What are the key properties of 1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine?
1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine has a molecular weight of 250.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine is sourced from PubChem (CID 113473072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).