3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol

C7H10ClNOS — CID 80641547

IUPAC3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
SMILESNCCC(O)c1sccc1Cl
InChIInChI=1S/C7H10ClNOS/c8-5-2-4-11-7(5)6(10)1-3-9/h2,4,6,10H,1,3,9H2
InChIKeyAMAKVPTYMOHDBM-UHFFFAOYSA-N
MW191.68 g/mol
LogP1.78
Rot. Bonds3

About 3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol

3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol (PubChem CID 80641547) has the molecular formula C7H10ClNOS and a molecular weight of 191.68 g/mol. Its IUPAC name is 3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
PubChem CID80641547
Molecular FormulaC7H10ClNOS
Molecular Weight191.68 g/mol
Exact Mass191.02
IUPAC Name3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
SMILESNCCC(O)c1sccc1Cl
InChIInChI=1S/C7H10ClNOS/c8-5-2-4-11-7(5)6(10)1-3-9/h2,4,6,10H,1,3,9H2
InChIKeyAMAKVPTYMOHDBM-UHFFFAOYSA-N
XLogP1.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol (CID 80641547) is 3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol is NCCC(O)c1sccc1Cl.
What is the InChIKey of 3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol?
The InChIKey is AMAKVPTYMOHDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNOS/c8-5-2-4-11-7(5)6(10)1-3-9/h2,4,6,10H,1,3,9H2.
What are the key properties of 3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol?
3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol has a molecular weight of 191.68 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 80641547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).