2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol

C13H19ClN2OS — CID 66146044

IUPAC2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol
SMILESCN1CCN(C(O)CSc2cccc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2OS/c1-15-5-7-16(8-6-15)13(17)10-18-12-4-2-3-11(14)9-12/h2-4,9,13,17H,5-8,10H2,1H3
InChIKeyVVLUBHYGLVCZQC-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.00
Rot. Bonds4

About 2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol

2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol (PubChem CID 66146044) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol
PubChem CID66146044
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol
SMILESCN1CCN(C(O)CSc2cccc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2OS/c1-15-5-7-16(8-6-15)13(17)10-18-12-4-2-3-11(14)9-12/h2-4,9,13,17H,5-8,10H2,1H3
InChIKeyVVLUBHYGLVCZQC-UHFFFAOYSA-N
XLogP2.00
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol
CID 66147302
2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol
CID 66148345
4-(3-chlorophenyl)sulfanylbutane-1,3-diol
CID 104827170
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
1-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanol
CID 66148550
1-(3-chlorophenyl)sulfanyl-3-ethyl-3-methoxypentan-2-ol
CID 116779702
1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol
CID 107915663
1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019304
1-(3-chlorophenyl)sulfanyl-3-methyl-N-propylbut-3-en-2-amine
CID 79180280
2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66148548
(2R)-1-(3-chlorophenyl)sulfanyl-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476137
(2R)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 6986712

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol (CID 66146044) is 2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol is CN1CCN(C(O)CSc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol?
The InChIKey is VVLUBHYGLVCZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-15-5-7-16(8-6-15)13(17)10-18-12-4-2-3-11(14)9-12/h2-4,9,13,17H,5-8,10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol?
2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol has a molecular weight of 286.83 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 66146044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).