[4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol

C13H22N2O3S2 — CID 102749710

IUPAC[4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol
SMILESCc1csc(CO)c1S(=O)(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H22N2O3S2/c1-10(2)14-4-6-15(7-5-14)20(17,18)13-11(3)9-19-12(13)8-16/h9-10,16H,4-8H2,1-3H3
InChIKeyNTLAHHVUJIPEPD-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.26
Rot. Bonds4

About [4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol

[4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol (PubChem CID 102749710) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is [4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol
PubChem CID102749710
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name[4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol
SMILESCc1csc(CO)c1S(=O)(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H22N2O3S2/c1-10(2)14-4-6-15(7-5-14)20(17,18)13-11(3)9-19-12(13)8-16/h9-10,16H,4-8H2,1-3H3
InChIKeyNTLAHHVUJIPEPD-UHFFFAOYSA-N
XLogP1.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol?
The IUPAC name of [4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol (CID 102749710) is [4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol.
What is the SMILES notation for [4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol?
The canonical SMILES for [4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol is Cc1csc(CO)c1S(=O)(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of [4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol?
The InChIKey is NTLAHHVUJIPEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-10(2)14-4-6-15(7-5-14)20(17,18)13-11(3)9-19-12(13)8-16/h9-10,16H,4-8H2,1-3H3.
What are the key properties of [4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol?
[4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol has a molecular weight of 318.46 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol is sourced from PubChem (CID 102749710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).