[3-(methylamino)-4-propan-2-ylsulfonylthiophen-2-yl]methanol

C9H15NO3S2 — CID 20699600

IUPAC[3-(methylamino)-4-propan-2-ylsulfonylthiophen-2-yl]methanol
SMILESCNc1c(S(=O)(=O)C(C)C)csc1CO
InChIInChI=1S/C9H15NO3S2/c1-6(2)15(12,13)8-5-14-7(4-11)9(8)10-3/h5-6,10-11H,4H2,1-3H3
InChIKeyORSVFZYKODKCPS-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.46
Rot. Bonds4

About [3-(methylamino)-4-propan-2-ylsulfonylthiophen-2-yl]methanol

[3-(methylamino)-4-propan-2-ylsulfonylthiophen-2-yl]methanol (PubChem CID 20699600) has the molecular formula C9H15NO3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is [3-(methylamino)-4-propan-2-ylsulfonylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-(methylamino)-4-propan-2-ylsulfonylthiophen-2-yl]methanol
PubChem CID20699600
Molecular FormulaC9H15NO3S2
Molecular Weight249.36 g/mol
Exact Mass249.05
IUPAC Name[3-(methylamino)-4-propan-2-ylsulfonylthiophen-2-yl]methanol
SMILESCNc1c(S(=O)(=O)C(C)C)csc1CO
InChIInChI=1S/C9H15NO3S2/c1-6(2)15(12,13)8-5-14-7(4-11)9(8)10-3/h5-6,10-11H,4H2,1-3H3
InChIKeyORSVFZYKODKCPS-UHFFFAOYSA-N
XLogP1.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)-4-propan-2-ylsulfonylthiophen-2-yl]methanol?
The IUPAC name of [3-(methylamino)-4-propan-2-ylsulfonylthiophen-2-yl]methanol (CID 20699600) is [3-(methylamino)-4-propan-2-ylsulfonylthiophen-2-yl]methanol.
What is the SMILES notation for [3-(methylamino)-4-propan-2-ylsulfonylthiophen-2-yl]methanol?
The canonical SMILES for [3-(methylamino)-4-propan-2-ylsulfonylthiophen-2-yl]methanol is CNc1c(S(=O)(=O)C(C)C)csc1CO.
What is the InChIKey of [3-(methylamino)-4-propan-2-ylsulfonylthiophen-2-yl]methanol?
The InChIKey is ORSVFZYKODKCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S2/c1-6(2)15(12,13)8-5-14-7(4-11)9(8)10-3/h5-6,10-11H,4H2,1-3H3.
What are the key properties of [3-(methylamino)-4-propan-2-ylsulfonylthiophen-2-yl]methanol?
[3-(methylamino)-4-propan-2-ylsulfonylthiophen-2-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)-4-propan-2-ylsulfonylthiophen-2-yl]methanol is sourced from PubChem (CID 20699600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).