1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol

C10H16ClNOS — CID 115346039

IUPAC1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol
SMILESCN(C)CCC(O)Cc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-12(2)6-5-8(13)7-9-3-4-10(11)14-9/h3-4,8,13H,5-7H2,1-2H3
InChIKeyQNOPZPMAJKYIFF-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.26
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol

1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol (PubChem CID 115346039) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol
PubChem CID115346039
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol
SMILESCN(C)CCC(O)Cc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-12(2)6-5-8(13)7-9-3-4-10(11)14-9/h3-4,8,13H,5-7H2,1-2H3
InChIKeyQNOPZPMAJKYIFF-UHFFFAOYSA-N
XLogP2.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol (CID 115346039) is 1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol is CN(C)CCC(O)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol?
The InChIKey is QNOPZPMAJKYIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-12(2)6-5-8(13)7-9-3-4-10(11)14-9/h3-4,8,13H,5-7H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol?
1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol has a molecular weight of 233.76 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol is sourced from PubChem (CID 115346039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).