(1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol

C11H17ClN2OS — CID 70230035

IUPAC(1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESN[C@H](CN1CCCC1)[C@H](O)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2OS/c12-10-4-3-9(16-10)11(15)8(13)7-14-5-1-2-6-14/h3-4,8,11,15H,1-2,5-7,13H2/t8-,11+/m1/s1
InChIKeyYHWSYMSDDPPUAW-KCJUWKMLSA-N
MW260.79 g/mol
LogP1.86
Rot. Bonds4

About (1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol

(1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 70230035) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID70230035
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name(1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESN[C@H](CN1CCCC1)[C@H](O)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2OS/c12-10-4-3-9(16-10)11(15)8(13)7-14-5-1-2-6-14/h3-4,8,11,15H,1-2,5-7,13H2/t8-,11+/m1/s1
InChIKeyYHWSYMSDDPPUAW-KCJUWKMLSA-N
XLogP1.86
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of (1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol (CID 70230035) is (1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol is N[C@H](CN1CCCC1)[C@H](O)c1ccc(Cl)s1.
What is the InChIKey of (1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is YHWSYMSDDPPUAW-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c12-10-4-3-9(16-10)11(15)8(13)7-14-5-1-2-6-14/h3-4,8,11,15H,1-2,5-7,13H2/t8-,11+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol?
(1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 260.79 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 70230035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).