3-amino-1-(2-chlorothiophen-3-yl)propane-1,2-diol

C7H10ClNO2S — CID 170827473

IUPAC3-amino-1-(2-chlorothiophen-3-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1ccsc1Cl
InChIInChI=1S/C7H10ClNO2S/c8-7-4(1-2-12-7)6(11)5(10)3-9/h1-2,5-6,10-11H,3,9H2
InChIKeyMNFQDNIRUAETJR-UHFFFAOYSA-N
MW207.68 g/mol
LogP0.75
Rot. Bonds3

About 3-amino-1-(2-chlorothiophen-3-yl)propane-1,2-diol

3-amino-1-(2-chlorothiophen-3-yl)propane-1,2-diol (PubChem CID 170827473) has the molecular formula C7H10ClNO2S and a molecular weight of 207.68 g/mol. Its IUPAC name is 3-amino-1-(2-chlorothiophen-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(2-chlorothiophen-3-yl)propane-1,2-diol
PubChem CID170827473
Molecular FormulaC7H10ClNO2S
Molecular Weight207.68 g/mol
Exact Mass207.01
IUPAC Name3-amino-1-(2-chlorothiophen-3-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1ccsc1Cl
InChIInChI=1S/C7H10ClNO2S/c8-7-4(1-2-12-7)6(11)5(10)3-9/h1-2,5-6,10-11H,3,9H2
InChIKeyMNFQDNIRUAETJR-UHFFFAOYSA-N
XLogP0.75
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chlorothiophen-3-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(2-chlorothiophen-3-yl)propane-1,2-diol (CID 170827473) is 3-amino-1-(2-chlorothiophen-3-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(2-chlorothiophen-3-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(2-chlorothiophen-3-yl)propane-1,2-diol is NCC(O)C(O)c1ccsc1Cl.
What is the InChIKey of 3-amino-1-(2-chlorothiophen-3-yl)propane-1,2-diol?
The InChIKey is MNFQDNIRUAETJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO2S/c8-7-4(1-2-12-7)6(11)5(10)3-9/h1-2,5-6,10-11H,3,9H2.
What are the key properties of 3-amino-1-(2-chlorothiophen-3-yl)propane-1,2-diol?
3-amino-1-(2-chlorothiophen-3-yl)propane-1,2-diol has a molecular weight of 207.68 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chlorothiophen-3-yl)propane-1,2-diol is sourced from PubChem (CID 170827473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).