N-(1-phenylpropan-2-yl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide

C15H20N2S2 — CID 3728490

IUPACN-(1-phenylpropan-2-yl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
SMILESCC(Cc1ccccc1)NC(=S)CN1CCCC1=S
InChIInChI=1S/C15H20N2S2/c1-12(10-13-6-3-2-4-7-13)16-14(18)11-17-9-5-8-15(17)19/h2-4,6-7,12H,5,8-11H2,1H3,(H,16,18)
InChIKeyFSUBJWFKHUILGJ-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.96
Rot. Bonds5

About N-(1-phenylpropan-2-yl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide

N-(1-phenylpropan-2-yl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide (PubChem CID 3728490) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
PubChem CID3728490
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC NameN-(1-phenylpropan-2-yl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
SMILESCC(Cc1ccccc1)NC(=S)CN1CCCC1=S
InChIInChI=1S/C15H20N2S2/c1-12(10-13-6-3-2-4-7-13)16-14(18)11-17-9-5-8-15(17)19/h2-4,6-7,12H,5,8-11H2,1H3,(H,16,18)
InChIKeyFSUBJWFKHUILGJ-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide?
The IUPAC name of N-(1-phenylpropan-2-yl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide (CID 3728490) is N-(1-phenylpropan-2-yl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide?
The canonical SMILES for N-(1-phenylpropan-2-yl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide is CC(Cc1ccccc1)NC(=S)CN1CCCC1=S.
What is the InChIKey of N-(1-phenylpropan-2-yl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide?
The InChIKey is FSUBJWFKHUILGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-12(10-13-6-3-2-4-7-13)16-14(18)11-17-9-5-8-15(17)19/h2-4,6-7,12H,5,8-11H2,1H3,(H,16,18).
What are the key properties of N-(1-phenylpropan-2-yl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide?
N-(1-phenylpropan-2-yl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide has a molecular weight of 292.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide is sourced from PubChem (CID 3728490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).