(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine

C9H14N2O2S2 — CID 66582369

IUPAC(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine
SMILESC[C@H]1CN(S(=O)(=O)c2cccs2)CCN1
InChIInChI=1S/C9H14N2O2S2/c1-8-7-11(5-4-10-8)15(12,13)9-3-2-6-14-9/h2-3,6,8,10H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyJOIBOXBEEZDBJD-QMMMGPOBSA-N
MW246.36 g/mol
LogP0.73
Rot. Bonds2

About (3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine

(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine (PubChem CID 66582369) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is (3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine
PubChem CID66582369
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine
SMILESC[C@H]1CN(S(=O)(=O)c2cccs2)CCN1
InChIInChI=1S/C9H14N2O2S2/c1-8-7-11(5-4-10-8)15(12,13)9-3-2-6-14-9/h2-3,6,8,10H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyJOIBOXBEEZDBJD-QMMMGPOBSA-N
XLogP0.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid
CID 97169349
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
CID 42930811
(3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine
CID 124619167
(3S)-1-(3-bromothiophen-2-yl)sulfonyl-3-methylpiperazine
CID 104976618
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
2,6-dimethyl-4-thiophen-2-ylsulfonylmorpholine
CID 2942574
3-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylsulfonylpiperazine
CID 66583202
3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119984000
3-(oxan-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 70655430
(3R)-3-(phenylmethoxymethyl)-1-thiophen-2-ylsulfonylpiperazine
CID 70655680
(3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone
CID 119576574

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of (3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine (CID 66582369) is (3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for (3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for (3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine is C[C@H]1CN(S(=O)(=O)c2cccs2)CCN1.
What is the InChIKey of (3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine?
The InChIKey is JOIBOXBEEZDBJD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-8-7-11(5-4-10-8)15(12,13)9-3-2-6-14-9/h2-3,6,8,10H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine?
(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine has a molecular weight of 246.36 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 66582369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).