(1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine

C10H11ClN2S — CID 130749964

IUPAC(1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine
SMILESNC[C@@H](N)c1cc2ccc(Cl)cc2s1
InChIInChI=1S/C10H11ClN2S/c11-7-2-1-6-3-10(8(13)5-12)14-9(6)4-7/h1-4,8H,5,12-13H2/t8-/m1/s1
InChIKeyYUYYTUDUOYDWFT-MRVPVSSYSA-N
MW226.73 g/mol
LogP2.51
Rot. Bonds2

About (1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine

(1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine (PubChem CID 130749964) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is (1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine
PubChem CID130749964
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name(1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine
SMILESNC[C@@H](N)c1cc2ccc(Cl)cc2s1
InChIInChI=1S/C10H11ClN2S/c11-7-2-1-6-3-10(8(13)5-12)14-9(6)4-7/h1-4,8H,5,12-13H2/t8-/m1/s1
InChIKeyYUYYTUDUOYDWFT-MRVPVSSYSA-N
XLogP2.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine (CID 130749964) is (1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine is NC[C@@H](N)c1cc2ccc(Cl)cc2s1.
What is the InChIKey of (1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine?
The InChIKey is YUYYTUDUOYDWFT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c11-7-2-1-6-3-10(8(13)5-12)14-9(6)4-7/h1-4,8H,5,12-13H2/t8-/m1/s1.
What are the key properties of (1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine?
(1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine has a molecular weight of 226.73 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 130749964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).