3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol

C7H10ClNOS — CID 79427562

IUPAC3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol
SMILESNC(CCO)c1cc(Cl)cs1
InChIInChI=1S/C7H10ClNOS/c8-5-3-7(11-4-5)6(9)1-2-10/h3-4,6,10H,1-2,9H2
InChIKeyHBAYWCNYHAIDTB-UHFFFAOYSA-N
MW191.68 g/mol
LogP1.78
Rot. Bonds3

About 3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol

3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol (PubChem CID 79427562) has the molecular formula C7H10ClNOS and a molecular weight of 191.68 g/mol. Its IUPAC name is 3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol
PubChem CID79427562
Molecular FormulaC7H10ClNOS
Molecular Weight191.68 g/mol
Exact Mass191.02
IUPAC Name3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol
SMILESNC(CCO)c1cc(Cl)cs1
InChIInChI=1S/C7H10ClNOS/c8-5-3-7(11-4-5)6(9)1-2-10/h3-4,6,10H,1-2,9H2
InChIKeyHBAYWCNYHAIDTB-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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Related Compounds

3-amino-3-(4-chlorothiophen-2-yl)propanoic acid
CID 15311718
(4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171198523
(3R)-3-amino-3-(3,5-dichlorophenyl)propan-1-ol;hydrochloride
CID 171202547
(1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 124500651
1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol
CID 79426773
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
(R)-(4-chlorothiophen-2-yl)-cyclopropylmethanamine
CID 130664775
3-amino-3-(1,3-thiazol-5-yl)propan-1-ol
CID 55255831
1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine
CID 79427710
3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol
CID 130002447
3-amino-3-(2-chlorothiophen-3-yl)propan-1-ol
CID 55295934

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol (CID 79427562) is 3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol is NC(CCO)c1cc(Cl)cs1.
What is the InChIKey of 3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol?
The InChIKey is HBAYWCNYHAIDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNOS/c8-5-3-7(11-4-5)6(9)1-2-10/h3-4,6,10H,1-2,9H2.
What are the key properties of 3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol?
3-amino-3-(4-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-3-(4-chlorothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 79427562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).