3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide

C15H22N2S — CID 62779621

IUPAC3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide
SMILESCN(C1CCCC1)C(CC(N)=S)c1ccccc1
InChIInChI=1S/C15H22N2S/c1-17(13-9-5-6-10-13)14(11-15(16)18)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H2,16,18)
InChIKeyLFRMKPUELDRWFM-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.28
Rot. Bonds5

About 3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide

3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide (PubChem CID 62779621) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide
PubChem CID62779621
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide
SMILESCN(C1CCCC1)C(CC(N)=S)c1ccccc1
InChIInChI=1S/C15H22N2S/c1-17(13-9-5-6-10-13)14(11-15(16)18)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H2,16,18)
InChIKeyLFRMKPUELDRWFM-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl-(2-methylcyclohexyl)amino]-3-phenylpropanethioamide
CID 62780450
3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949207
3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide
CID 62780290
N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62417209
N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine
CID 62423722
3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide
CID 62779255
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-phenylpropanethioamide
CID 63275740
N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine
CID 61439510
3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide
CID 62779626
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
2-[1-[cyclohexyl(methyl)amino]propyl]phenol
CID 82974252
3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid
CID 63074052

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide?
The IUPAC name of 3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide (CID 62779621) is 3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide.
What is the SMILES notation for 3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide?
The canonical SMILES for 3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide is CN(C1CCCC1)C(CC(N)=S)c1ccccc1.
What is the InChIKey of 3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide?
The InChIKey is LFRMKPUELDRWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-17(13-9-5-6-10-13)14(11-15(16)18)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H2,16,18).
What are the key properties of 3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide?
3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide has a molecular weight of 262.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide is sourced from PubChem (CID 62779621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).