1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol

C14H24N2O3S2 — CID 63237331

IUPAC1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
SMILESCc1cc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)c(C)s1
InChIInChI=1S/C14H24N2O3S2/c1-11-9-13(12(2)20-11)21(18,19)16-7-5-15(6-8-16)10-14(3,4)17/h9,17H,5-8,10H2,1-4H3
InChIKeyIJHZTNDWKFVZQE-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.44
Rot. Bonds4

About 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol

1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 63237331) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
PubChem CID63237331
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
SMILESCc1cc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)c(C)s1
InChIInChI=1S/C14H24N2O3S2/c1-11-9-13(12(2)20-11)21(18,19)16-7-5-15(6-8-16)10-14(3,4)17/h9,17H,5-8,10H2,1-4H3
InChIKeyIJHZTNDWKFVZQE-UHFFFAOYSA-N
XLogP1.44
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine
CID 60540170
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine
CID 718928
1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 103100214
3-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62218191
1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 126770684
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-amine
CID 43556372
1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine
CID 119979998
4-amino-1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
CID 119307459
[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-(oxiran-2-yl)methanone
CID 154879885
1-(2,5-dimethylthiophen-3-yl)sulfonyl-1,4-diazepan-5-one
CID 60709201
4-[[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 31111224
(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084328

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol (CID 63237331) is 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol is Cc1cc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)c(C)s1.
What is the InChIKey of 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is IJHZTNDWKFVZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-11-9-13(12(2)20-11)21(18,19)16-7-5-15(6-8-16)10-14(3,4)17/h9,17H,5-8,10H2,1-4H3.
What are the key properties of 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol?
1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 332.49 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 63237331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).