N,N-diethyl-2,3-dihydrothiophen-3-amine

C8H15NS — CID 175249788

IUPACN,N-diethyl-2,3-dihydrothiophen-3-amine
SMILESCCN(CC)C1C=CSC1
InChIInChI=1S/C8H15NS/c1-3-9(4-2)8-5-6-10-7-8/h5-6,8H,3-4,7H2,1-2H3
InChIKeyCLFQMFXVVQZRJU-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.96
Rot. Bonds3

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

N,N-diethyl-2,3-dihydrothiophen-3-amine (PubChem CID 175249788) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N,N-diethyl-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN,N-diethyl-2,3-dihydrothiophen-3-amine
PubChem CID175249788
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN,N-diethyl-2,3-dihydrothiophen-3-amine
SMILESCCN(CC)C1C=CSC1
InChIInChI=1S/C8H15NS/c1-3-9(4-2)8-5-6-10-7-8/h5-6,8H,3-4,7H2,1-2H3
InChIKeyCLFQMFXVVQZRJU-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-methyl-3H-thiophen-2-amine
CID 57277605
2,3,4-trimethyl-3,5-dihydro-2H-1,4-thiazepine
CID 68315569
(7Z)-2,3,4-trimethyl-2,3,5,6-tetrahydro-1,4-thiazocine
CID 68315571
2,3,4-Trimethyl-2,3,5,6-tetrahydro-1,4-thiazocine
CID 77476549
N,N-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 88543479
N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88870045
5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine
CID 88885670
4-methylsulfanyl-N,N-bis(prop-2-enyl)butan-2-amine
CID 126500500
(Z)-4-ethylsulfanyl-N,N-dimethylbut-3-en-2-amine
CID 138478352
N-ethyl-N-[(E)-(3-methyl-3H-thiophen-2-ylidene)methyl]propan-2-amine
CID 142056572
3-Ethenyl-4-methylthiomorpholine
CID 144959047
(3S)-N-methyl-N-prop-2-enylthiolan-3-amine
CID 146578698

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,3-dihydrothiophen-3-amine?
The IUPAC name of N,N-diethyl-2,3-dihydrothiophen-3-amine (CID 175249788) is N,N-diethyl-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N,N-diethyl-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N,N-diethyl-2,3-dihydrothiophen-3-amine is CCN(CC)C1C=CSC1.
What is the InChIKey of N,N-diethyl-2,3-dihydrothiophen-3-amine?
The InChIKey is CLFQMFXVVQZRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-9(4-2)8-5-6-10-7-8/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of N,N-diethyl-2,3-dihydrothiophen-3-amine?
N,N-diethyl-2,3-dihydrothiophen-3-amine has a molecular weight of 157.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 175249788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).