3,4-dimethyl-2,3-dihydrothiophen-2-amine

C6H11NS — CID 175507457

IUPAC3,4-dimethyl-2,3-dihydrothiophen-2-amine
SMILESCC1=CSC(N)C1C
InChIInChI=1S/C6H11NS/c1-4-3-8-6(7)5(4)2/h3,5-6H,7H2,1-2H3
InChIKeyFNBIZUQGGDPNRB-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.56
Rot. Bonds

About 3,4-dimethyl-2,3-dihydrothiophen-2-amine

3,4-dimethyl-2,3-dihydrothiophen-2-amine (PubChem CID 175507457) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 3,4-dimethyl-2,3-dihydrothiophen-2-amine.

Molecular Properties

Compound Name3,4-dimethyl-2,3-dihydrothiophen-2-amine
PubChem CID175507457
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name3,4-dimethyl-2,3-dihydrothiophen-2-amine
SMILESCC1=CSC(N)C1C
InChIInChI=1S/C6H11NS/c1-4-3-8-6(7)5(4)2/h3,5-6H,7H2,1-2H3
InChIKeyFNBIZUQGGDPNRB-UHFFFAOYSA-N
XLogP1.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,3-dihydrothiophen-2-amine?
The IUPAC name of 3,4-dimethyl-2,3-dihydrothiophen-2-amine (CID 175507457) is 3,4-dimethyl-2,3-dihydrothiophen-2-amine.
What is the SMILES notation for 3,4-dimethyl-2,3-dihydrothiophen-2-amine?
The canonical SMILES for 3,4-dimethyl-2,3-dihydrothiophen-2-amine is CC1=CSC(N)C1C.
What is the InChIKey of 3,4-dimethyl-2,3-dihydrothiophen-2-amine?
The InChIKey is FNBIZUQGGDPNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-3-8-6(7)5(4)2/h3,5-6H,7H2,1-2H3.
What are the key properties of 3,4-dimethyl-2,3-dihydrothiophen-2-amine?
3,4-dimethyl-2,3-dihydrothiophen-2-amine has a molecular weight of 129.23 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,3-dihydrothiophen-2-amine is sourced from PubChem (CID 175507457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).