(1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine

C6H9ClN2S — CID 55273534

IUPAC(1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine
SMILESNC[C@@H](N)c1ccsc1Cl
InChIInChI=1S/C6H9ClN2S/c7-6-4(1-2-10-6)5(9)3-8/h1-2,5H,3,8-9H2/t5-/m1/s1
InChIKeyRYTSMLNZRPGMDV-RXMQYKEDSA-N
MW176.67 g/mol
LogP1.36
Rot. Bonds2

About (1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine

(1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine (PubChem CID 55273534) has the molecular formula C6H9ClN2S and a molecular weight of 176.67 g/mol. Its IUPAC name is (1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine
PubChem CID55273534
Molecular FormulaC6H9ClN2S
Molecular Weight176.67 g/mol
Exact Mass176.02
IUPAC Name(1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine
SMILESNC[C@@H](N)c1ccsc1Cl
InChIInChI=1S/C6H9ClN2S/c7-6-4(1-2-10-6)5(9)3-8/h1-2,5H,3,8-9H2/t5-/m1/s1
InChIKeyRYTSMLNZRPGMDV-RXMQYKEDSA-N
XLogP1.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine (CID 55273534) is (1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine is NC[C@@H](N)c1ccsc1Cl.
What is the InChIKey of (1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine?
The InChIKey is RYTSMLNZRPGMDV-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9ClN2S/c7-6-4(1-2-10-6)5(9)3-8/h1-2,5H,3,8-9H2/t5-/m1/s1.
What are the key properties of (1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine?
(1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine has a molecular weight of 176.67 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorothiophen-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 55273534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).