N,2-dimethyl-2,3-dihydrothiophen-3-amine

C6H11NS — CID 146338252

IUPACN,2-dimethyl-2,3-dihydrothiophen-3-amine
SMILESCNC1C=CSC1C
InChIInChI=1S/C6H11NS/c1-5-6(7-2)3-4-8-5/h3-7H,1-2H3
InChIKeySDJBDGSBWLICKQ-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.22
Rot. Bonds1

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

N,2-dimethyl-2,3-dihydrothiophen-3-amine (PubChem CID 146338252) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is N,2-dimethyl-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-2,3-dihydrothiophen-3-amine
PubChem CID146338252
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC NameN,2-dimethyl-2,3-dihydrothiophen-3-amine
SMILESCNC1C=CSC1C
InChIInChI=1S/C6H11NS/c1-5-6(7-2)3-4-8-5/h3-7H,1-2H3
InChIKeySDJBDGSBWLICKQ-UHFFFAOYSA-N
XLogP1.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2,3-dihydrothiophen-3-amine?
The IUPAC name of N,2-dimethyl-2,3-dihydrothiophen-3-amine (CID 146338252) is N,2-dimethyl-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N,2-dimethyl-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N,2-dimethyl-2,3-dihydrothiophen-3-amine is CNC1C=CSC1C.
What is the InChIKey of N,2-dimethyl-2,3-dihydrothiophen-3-amine?
The InChIKey is SDJBDGSBWLICKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-5-6(7-2)3-4-8-5/h3-7H,1-2H3.
What are the key properties of N,2-dimethyl-2,3-dihydrothiophen-3-amine?
N,2-dimethyl-2,3-dihydrothiophen-3-amine has a molecular weight of 129.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 146338252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).