2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile

C12H21N3OS — CID 114236094

IUPAC2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile
SMILESCCNC(C)(C#N)CSCC(=O)N1CCCC1
InChIInChI=1S/C12H21N3OS/c1-3-14-12(2,9-13)10-17-8-11(16)15-6-4-5-7-15/h14H,3-8,10H2,1-2H3
InChIKeyWPRHBVPECDGQHU-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.23
Rot. Bonds6

About 2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile

2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile (PubChem CID 114236094) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile
PubChem CID114236094
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile
SMILESCCNC(C)(C#N)CSCC(=O)N1CCCC1
InChIInChI=1S/C12H21N3OS/c1-3-14-12(2,9-13)10-17-8-11(16)15-6-4-5-7-15/h14H,3-8,10H2,1-2H3
InChIKeyWPRHBVPECDGQHU-UHFFFAOYSA-N
XLogP1.23
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile (CID 114236094) is 2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile is CCNC(C)(C#N)CSCC(=O)N1CCCC1.
What is the InChIKey of 2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile?
The InChIKey is WPRHBVPECDGQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-14-12(2,9-13)10-17-8-11(16)15-6-4-5-7-15/h14H,3-8,10H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile?
2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile has a molecular weight of 255.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile is sourced from PubChem (CID 114236094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).