(2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide

C19H24N2S — CID 94870483

IUPAC(2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide
SMILESCC(C)NC(=S)N1CCC[C@@H]1Cc1cccc2ccccc12
InChIInChI=1S/C19H24N2S/c1-14(2)20-19(22)21-12-6-10-17(21)13-16-9-5-8-15-7-3-4-11-18(15)16/h3-5,7-9,11,14,17H,6,10,12-13H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyZBSQFSAQAZLKQV-QGZVFWFLSA-N
MW312.48 g/mol
LogP4.13
Rot. Bonds3

About (2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide

(2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide (PubChem CID 94870483) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is (2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide.

Molecular Properties

Compound Name(2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide
PubChem CID94870483
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name(2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide
SMILESCC(C)NC(=S)N1CCC[C@@H]1Cc1cccc2ccccc12
InChIInChI=1S/C19H24N2S/c1-14(2)20-19(22)21-12-6-10-17(21)13-16-9-5-8-15-7-3-4-11-18(15)16/h3-5,7-9,11,14,17H,6,10,12-13H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyZBSQFSAQAZLKQV-QGZVFWFLSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide?
The IUPAC name of (2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide (CID 94870483) is (2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide.
What is the SMILES notation for (2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide?
The canonical SMILES for (2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide is CC(C)NC(=S)N1CCC[C@@H]1Cc1cccc2ccccc12.
What is the InChIKey of (2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide?
The InChIKey is ZBSQFSAQAZLKQV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2S/c1-14(2)20-19(22)21-12-6-10-17(21)13-16-9-5-8-15-7-3-4-11-18(15)16/h3-5,7-9,11,14,17H,6,10,12-13H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide?
(2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide has a molecular weight of 312.48 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide is sourced from PubChem (CID 94870483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).