(2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol

C10H16ClNOS — CID 174218254

IUPAC(2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol
SMILESCCCC[C@](N)(CO)c1ccsc1Cl
InChIInChI=1S/C10H16ClNOS/c1-2-3-5-10(12,7-13)8-4-6-14-9(8)11/h4,6,13H,2-3,5,7,12H2,1H3/t10-/m0/s1
InChIKeyXMVIIWDJQVSLGW-JTQLQIEISA-N
MW233.76 g/mol
LogP2.74
Rot. Bonds5

About (2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol

(2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol (PubChem CID 174218254) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol
PubChem CID174218254
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name(2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol
SMILESCCCC[C@](N)(CO)c1ccsc1Cl
InChIInChI=1S/C10H16ClNOS/c1-2-3-5-10(12,7-13)8-4-6-14-9(8)11/h4,6,13H,2-3,5,7,12H2,1H3/t10-/m0/s1
InChIKeyXMVIIWDJQVSLGW-JTQLQIEISA-N
XLogP2.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol?
The IUPAC name of (2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol (CID 174218254) is (2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol?
The canonical SMILES for (2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol is CCCC[C@](N)(CO)c1ccsc1Cl.
What is the InChIKey of (2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol?
The InChIKey is XMVIIWDJQVSLGW-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-2-3-5-10(12,7-13)8-4-6-14-9(8)11/h4,6,13H,2-3,5,7,12H2,1H3/t10-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol?
(2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol has a molecular weight of 233.76 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-chlorothiophen-3-yl)hexan-1-ol is sourced from PubChem (CID 174218254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).