1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol

C9H15NOS — CID 79087960

IUPAC1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
SMILESCN(C)CC(O)Cc1ccsc1
InChIInChI=1S/C9H15NOS/c1-10(2)6-9(11)5-8-3-4-12-7-8/h3-4,7,9,11H,5-6H2,1-2H3
InChIKeyBDXDGMIIQLXSRQ-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.21
Rot. Bonds4

About 1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol

1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol (PubChem CID 79087960) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
PubChem CID79087960
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
SMILESCN(C)CC(O)Cc1ccsc1
InChIInChI=1S/C9H15NOS/c1-10(2)6-9(11)5-8-3-4-12-7-8/h3-4,7,9,11H,5-6H2,1-2H3
InChIKeyBDXDGMIIQLXSRQ-UHFFFAOYSA-N
XLogP1.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248312
1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 111753828
4-methoxy-1-thiophen-3-ylbutan-2-ol
CID 62606552
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-phenyl-3-[propan-2-yl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 42837065
1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol
CID 105101095
4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol
CID 62607844
1-[4-(dimethylamino)phenyl]-2-thiophen-3-ylethanol
CID 65151020
1-thiophen-3-yltetradecan-2-ol
CID 105090220
1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62607480
1-(3-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62608058

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol (CID 79087960) is 1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol is CN(C)CC(O)Cc1ccsc1.
What is the InChIKey of 1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol?
The InChIKey is BDXDGMIIQLXSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-10(2)6-9(11)5-8-3-4-12-7-8/h3-4,7,9,11H,5-6H2,1-2H3.
What are the key properties of 1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol?
1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol has a molecular weight of 185.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 79087960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).