3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol

C9H15NO2S2 — CID 64900182

IUPAC3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol
SMILESCNC(CCO)CS(=O)c1cccs1
InChIInChI=1S/C9H15NO2S2/c1-10-8(4-5-11)7-14(12)9-3-2-6-13-9/h2-3,6,8,10-11H,4-5,7H2,1H3
InChIKeyQBDBOCLWHZOUEW-UHFFFAOYSA-N
MW233.36 g/mol
LogP0.83
Rot. Bonds6

About 3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol

3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol (PubChem CID 64900182) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol
PubChem CID64900182
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC Name3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol
SMILESCNC(CCO)CS(=O)c1cccs1
InChIInChI=1S/C9H15NO2S2/c1-10-8(4-5-11)7-14(12)9-3-2-6-13-9/h2-3,6,8,10-11H,4-5,7H2,1H3
InChIKeyQBDBOCLWHZOUEW-UHFFFAOYSA-N
XLogP0.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine
CID 64653423
3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol
CID 64900376
3-(methylamino)-4-naphthalen-2-ylsulfinylbutan-1-ol
CID 64898224
1-(2-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfinylethanamine
CID 64651150
1-thiophen-2-ylsulfinylpentan-2-amine
CID 64652798
4-benzylsulfinyl-3-(methylamino)butan-1-ol
CID 64898646
1-methoxy-3-thiophen-2-ylsulfinylpropan-2-amine
CID 107508763
N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine
CID 64653627
N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine
CID 64653013
N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine
CID 64652385
N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine
CID 64653004
sodium;hydride;thiophene-2-sulfinic acid
CID 173077557

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol?
The IUPAC name of 3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol (CID 64900182) is 3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol.
What is the SMILES notation for 3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol?
The canonical SMILES for 3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol is CNC(CCO)CS(=O)c1cccs1.
What is the InChIKey of 3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol?
The InChIKey is QBDBOCLWHZOUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-10-8(4-5-11)7-14(12)9-3-2-6-13-9/h2-3,6,8,10-11H,4-5,7H2,1H3.
What are the key properties of 3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol?
3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol is sourced from PubChem (CID 64900182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).