(1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine

C8H13ClN2S — CID 124500651

IUPAC(1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)[C@H](CN)c1cc(Cl)cs1
InChIInChI=1S/C8H13ClN2S/c1-11(2)7(4-10)8-3-6(9)5-12-8/h3,5,7H,4,10H2,1-2H3/t7-/m1/s1
InChIKeyFLHHHDFMNIDNPA-SSDOTTSWSA-N
MW204.73 g/mol
LogP1.96
Rot. Bonds3

About (1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine

(1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 124500651) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is (1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID124500651
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC Name(1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)[C@H](CN)c1cc(Cl)cs1
InChIInChI=1S/C8H13ClN2S/c1-11(2)7(4-10)8-3-6(9)5-12-8/h3,5,7H,4,10H2,1-2H3/t7-/m1/s1
InChIKeyFLHHHDFMNIDNPA-SSDOTTSWSA-N
XLogP1.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of (1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine (CID 124500651) is (1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for (1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine is CN(C)[C@H](CN)c1cc(Cl)cs1.
What is the InChIKey of (1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is FLHHHDFMNIDNPA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13ClN2S/c1-11(2)7(4-10)8-3-6(9)5-12-8/h3,5,7H,4,10H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine?
(1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 204.73 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 124500651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).