(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine

C10H15ClN2O2S2 — CID 103100544

IUPAC(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN[C@@H](C)C2)sc1Cl
InChIInChI=1S/C10H15ClN2O2S2/c1-7-5-9(16-10(7)11)17(14,15)13-4-3-12-8(2)6-13/h5,8,12H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyLNKZJFQOFVGRBB-QMMMGPOBSA-N
MW294.83 g/mol
LogP1.69
Rot. Bonds2

About (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine

(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine (PubChem CID 103100544) has the molecular formula C10H15ClN2O2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine.

Molecular Properties

Compound Name(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine
PubChem CID103100544
Molecular FormulaC10H15ClN2O2S2
Molecular Weight294.83 g/mol
Exact Mass294.03
IUPAC Name(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN[C@@H](C)C2)sc1Cl
InChIInChI=1S/C10H15ClN2O2S2/c1-7-5-9(16-10(7)11)17(14,15)13-4-3-12-8(2)6-13/h5,8,12H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyLNKZJFQOFVGRBB-QMMMGPOBSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine 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

(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 103100505
(3aS,6aR)-5-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120714104
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol
CID 103100198
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120713704
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062
(3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine
CID 104975146
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
CID 119982062
(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine
CID 66582369
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 120707091
1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine
CID 99858914
1-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 103100405
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122106054

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine?
The IUPAC name of (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine (CID 103100544) is (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine.
What is the SMILES notation for (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine?
The canonical SMILES for (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine is Cc1cc(S(=O)(=O)N2CCN[C@@H](C)C2)sc1Cl.
What is the InChIKey of (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine?
The InChIKey is LNKZJFQOFVGRBB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15ClN2O2S2/c1-7-5-9(16-10(7)11)17(14,15)13-4-3-12-8(2)6-13/h5,8,12H,3-4,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine?
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine has a molecular weight of 294.83 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine is sourced from PubChem (CID 103100544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).