(1S)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine

C8H14N2S — CID 2507853

IUPAC(1S)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)[C@@H](CN)c1cccs1
InChIInChI=1S/C8H14N2S/c1-10(2)7(6-9)8-4-3-5-11-8/h3-5,7H,6,9H2,1-2H3/t7-/m0/s1
InChIKeyRVHCVEZJFGCTCX-ZETCQYMHSA-N
MW170.28 g/mol
LogP1.31
Rot. Bonds3

About (1S)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine

(1S)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 2507853) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
PubChem CID2507853
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name(1S)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)[C@@H](CN)c1cccs1
InChIInChI=1S/C8H14N2S/c1-10(2)7(6-9)8-4-3-5-11-8/h3-5,7H,6,9H2,1-2H3/t7-/m0/s1
InChIKeyRVHCVEZJFGCTCX-ZETCQYMHSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of (1S)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (CID 2507853) is (1S)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for (1S)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for (1S)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is CN(C)[C@@H](CN)c1cccs1.
What is the InChIKey of (1S)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is RVHCVEZJFGCTCX-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2S/c1-10(2)7(6-9)8-4-3-5-11-8/h3-5,7H,6,9H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
(1S)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 170.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 2507853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).