2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile

C18H20N2S2 — CID 67836542

IUPAC2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile
SMILESCN(CC1CC1)C(C#N)(CC=Cc1ccsc1)c1cccs1
InChIInChI=1S/C18H20N2S2/c1-20(12-15-6-7-15)18(14-19,17-5-3-10-22-17)9-2-4-16-8-11-21-13-16/h2-5,8,10-11,13,15H,6-7,9,12H2,1H3
InChIKeySVESTQXPOWIGOT-UHFFFAOYSA-N
MW328.51 g/mol
LogP4.97
Rot. Bonds7

About 2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile

2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile (PubChem CID 67836542) has the molecular formula C18H20N2S2 and a molecular weight of 328.51 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile.

Molecular Properties

Compound Name2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile
PubChem CID67836542
Molecular FormulaC18H20N2S2
Molecular Weight328.51 g/mol
Exact Mass328.11
IUPAC Name2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile
SMILESCN(CC1CC1)C(C#N)(CC=Cc1ccsc1)c1cccs1
InChIInChI=1S/C18H20N2S2/c1-20(12-15-6-7-15)18(14-19,17-5-3-10-22-17)9-2-4-16-8-11-21-13-16/h2-5,8,10-11,13,15H,6-7,9,12H2,1H3
InChIKeySVESTQXPOWIGOT-UHFFFAOYSA-N
XLogP4.97
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile?
The IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile (CID 67836542) is 2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile.
What is the SMILES notation for 2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile?
The canonical SMILES for 2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile is CN(CC1CC1)C(C#N)(CC=Cc1ccsc1)c1cccs1.
What is the InChIKey of 2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile?
The InChIKey is SVESTQXPOWIGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S2/c1-20(12-15-6-7-15)18(14-19,17-5-3-10-22-17)9-2-4-16-8-11-21-13-16/h2-5,8,10-11,13,15H,6-7,9,12H2,1H3.
What are the key properties of 2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile?
2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile has a molecular weight of 328.51 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(methyl)amino]-2-thiophen-2-yl-5-thiophen-3-ylpent-4-enenitrile is sourced from PubChem (CID 67836542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).