N-(1-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide

C16H22N2OS — CID 61120513

IUPACN-(1-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NC1(C(N)=S)CCCC1)c1ccccc1
InChIInChI=1S/C16H22N2OS/c1-15(2,12-8-4-3-5-9-12)14(19)18-16(13(17)20)10-6-7-11-16/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyUVNWJIXGUAVFAW-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.68
Rot. Bonds4

About N-(1-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide

N-(1-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide (PubChem CID 61120513) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(1-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide
PubChem CID61120513
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(1-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NC1(C(N)=S)CCCC1)c1ccccc1
InChIInChI=1S/C16H22N2OS/c1-15(2,12-8-4-3-5-9-12)14(19)18-16(13(17)20)10-6-7-11-16/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyUVNWJIXGUAVFAW-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
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-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(1-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide (CID 61120513) is N-(1-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(1-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(1-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide is CC(C)(C(=O)NC1(C(N)=S)CCCC1)c1ccccc1.
What is the InChIKey of N-(1-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide?
The InChIKey is UVNWJIXGUAVFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-15(2,12-8-4-3-5-9-12)14(19)18-16(13(17)20)10-6-7-11-16/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of N-(1-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide?
N-(1-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide has a molecular weight of 290.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 61120513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).