[4-(benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol

C12H13NO3S2 — CID 20699572

IUPAC[4-(benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol
SMILESCNc1c(S(=O)(=O)c2ccccc2)csc1CO
InChIInChI=1S/C12H13NO3S2/c1-13-12-10(7-14)17-8-11(12)18(15,16)9-5-3-2-4-6-9/h2-6,8,13-14H,7H2,1H3
InChIKeyKTNVLNMYMYAYEH-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.11
Rot. Bonds4

About [4-(benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol

[4-(benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol (PubChem CID 20699572) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol
PubChem CID20699572
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC Name[4-(benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol
SMILESCNc1c(S(=O)(=O)c2ccccc2)csc1CO
InChIInChI=1S/C12H13NO3S2/c1-13-12-10(7-14)17-8-11(12)18(15,16)9-5-3-2-4-6-9/h2-6,8,13-14H,7H2,1H3
InChIKeyKTNVLNMYMYAYEH-UHFFFAOYSA-N
XLogP2.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol?
The IUPAC name of [4-(benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol (CID 20699572) is [4-(benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol.
What is the SMILES notation for [4-(benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol?
The canonical SMILES for [4-(benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol is CNc1c(S(=O)(=O)c2ccccc2)csc1CO.
What is the InChIKey of [4-(benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol?
The InChIKey is KTNVLNMYMYAYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-13-12-10(7-14)17-8-11(12)18(15,16)9-5-3-2-4-6-9/h2-6,8,13-14H,7H2,1H3.
What are the key properties of [4-(benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol?
[4-(benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol has a molecular weight of 283.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)-3-(methylamino)thiophen-2-yl]methanol is sourced from PubChem (CID 20699572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).