(3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine

C8H15NS — CID 126702660

IUPAC(3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine
SMILESCC[C@@H]1C(C)=C(C)SC1N
InChIInChI=1S/C8H15NS/c1-4-7-5(2)6(3)10-8(7)9/h7-8H,4,9H2,1-3H3/t7-,8?/m1/s1
InChIKeyXADXVYAQDQPIGZ-GVHYBUMESA-N
MW157.28 g/mol
LogP2.34
Rot. Bonds1

About (3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine

(3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine (PubChem CID 126702660) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine.

Molecular Properties

Compound Name(3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine
PubChem CID126702660
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine
SMILESCC[C@@H]1C(C)=C(C)SC1N
InChIInChI=1S/C8H15NS/c1-4-7-5(2)6(3)10-8(7)9/h7-8H,4,9H2,1-3H3/t7-,8?/m1/s1
InChIKeyXADXVYAQDQPIGZ-GVHYBUMESA-N
XLogP2.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine?
The IUPAC name of (3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine (CID 126702660) is (3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine.
What is the SMILES notation for (3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine?
The canonical SMILES for (3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine is CC[C@@H]1C(C)=C(C)SC1N.
What is the InChIKey of (3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine?
The InChIKey is XADXVYAQDQPIGZ-GVHYBUMESA-N. The full InChI is InChI=1S/C8H15NS/c1-4-7-5(2)6(3)10-8(7)9/h7-8H,4,9H2,1-3H3/t7-,8?/m1/s1.
What are the key properties of (3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine?
(3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine has a molecular weight of 157.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine is sourced from PubChem (CID 126702660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).