3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol

C12H21NO2S — CID 115723176

IUPAC3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol
SMILESCCC(COC)NC(CCO)c1cccs1
InChIInChI=1S/C12H21NO2S/c1-3-10(9-15-2)13-11(6-7-14)12-5-4-8-16-12/h4-5,8,10-11,13-14H,3,6-7,9H2,1-2H3
InChIKeyRWPMZOARSXJLPW-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.19
Rot. Bonds8

About 3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol

3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol (PubChem CID 115723176) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol
PubChem CID115723176
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol
SMILESCCC(COC)NC(CCO)c1cccs1
InChIInChI=1S/C12H21NO2S/c1-3-10(9-15-2)13-11(6-7-14)12-5-4-8-16-12/h4-5,8,10-11,13-14H,3,6-7,9H2,1-2H3
InChIKeyRWPMZOARSXJLPW-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol
CID 115723171
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol
CID 115888558
3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol
CID 106156673
1-methoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 81399226
(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine
CID 95366277
2-(1-thiophen-2-ylethylamino)butan-1-ol
CID 43207104
2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
CID 63456212
(3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol
CID 103871621
(2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol
CID 103922693
4-methoxy-N-[(1S)-1-thiophen-2-ylethyl]butan-2-amine
CID 81398885
ethyl 2-(1-thiophen-2-ylbutylamino)butanoate
CID 64668989
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol (CID 115723176) is 3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol is CCC(COC)NC(CCO)c1cccs1.
What is the InChIKey of 3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is RWPMZOARSXJLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-3-10(9-15-2)13-11(6-7-14)12-5-4-8-16-12/h4-5,8,10-11,13-14H,3,6-7,9H2,1-2H3.
What are the key properties of 3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol?
3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 243.37 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxybutan-2-ylamino)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 115723176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).