(2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone

C14H18Cl2N2O2S — CID 95775773

IUPAC(2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone
SMILESC[S@@](=O)CCN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O2S/c1-21(20)10-9-17-5-7-18(8-6-17)14(19)11-3-2-4-12(15)13(11)16/h2-4H,5-10H2,1H3/t21-/m1/s1
InChIKeySBNNIVPSJOKFRQ-OAQYLSRUSA-N
MW349.28 g/mol
LogP2.13
Rot. Bonds4

About (2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone

(2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone (PubChem CID 95775773) has the molecular formula C14H18Cl2N2O2S and a molecular weight of 349.28 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone
PubChem CID95775773
Molecular FormulaC14H18Cl2N2O2S
Molecular Weight349.28 g/mol
Exact Mass348.05
IUPAC Name(2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone
SMILESC[S@@](=O)CCN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O2S/c1-21(20)10-9-17-5-7-18(8-6-17)14(19)11-3-2-4-12(15)13(11)16/h2-4H,5-10H2,1H3/t21-/m1/s1
InChIKeySBNNIVPSJOKFRQ-OAQYLSRUSA-N
XLogP2.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210
2-[4-(2,3-dichlorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825146
(2,3-dichlorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325337
(2,3-dichlorophenyl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19291232
[(2R)-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]propan-2-yl] 2,3-dichlorobenzoate
CID 95338828
(2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 18115100
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 173225845
N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 18163223
(2-amino-3-chlorophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 115540648
(2,3-dichlorophenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19574158

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone (CID 95775773) is (2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone is C[S@@](=O)CCN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of (2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone?
The InChIKey is SBNNIVPSJOKFRQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2S/c1-21(20)10-9-17-5-7-18(8-6-17)14(19)11-3-2-4-12(15)13(11)16/h2-4H,5-10H2,1H3/t21-/m1/s1.
What are the key properties of (2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone?
(2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone has a molecular weight of 349.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95775773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).