3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine

C14H19NS — CID 54409430

IUPAC3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine
SMILESCN(C)CC=Cc1ccc(SC2CC2)cc1
InChIInChI=1S/C14H19NS/c1-15(2)11-3-4-12-5-7-13(8-6-12)16-14-9-10-14/h3-8,14H,9-11H2,1-2H3
InChIKeyVTBBXVPGHOQZPV-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.52
Rot. Bonds5

About 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine

3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine (PubChem CID 54409430) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine
PubChem CID54409430
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine
SMILESCN(C)CC=Cc1ccc(SC2CC2)cc1
InChIInChI=1S/C14H19NS/c1-15(2)11-3-4-12-5-7-13(8-6-12)16-14-9-10-14/h3-8,14H,9-11H2,1-2H3
InChIKeyVTBBXVPGHOQZPV-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine (CID 54409430) is 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine is CN(C)CC=Cc1ccc(SC2CC2)cc1.
What is the InChIKey of 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine?
The InChIKey is VTBBXVPGHOQZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-15(2)11-3-4-12-5-7-13(8-6-12)16-14-9-10-14/h3-8,14H,9-11H2,1-2H3.
What are the key properties of 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine?
3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine has a molecular weight of 233.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 54409430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).