3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide

C16H24N2OS — CID 62780290

IUPAC3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide
SMILESNC(=S)CC(c1ccccc1)N(CCO)C1CCCC1
InChIInChI=1S/C16H24N2OS/c17-16(20)12-15(13-6-2-1-3-7-13)18(10-11-19)14-8-4-5-9-14/h1-3,6-7,14-15,19H,4-5,8-12H2,(H2,17,20)
InChIKeyWDXWMLIYFBZLCQ-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.64
Rot. Bonds7

About 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide

3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide (PubChem CID 62780290) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide.

Molecular Properties

Compound Name3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide
PubChem CID62780290
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide
SMILESNC(=S)CC(c1ccccc1)N(CCO)C1CCCC1
InChIInChI=1S/C16H24N2OS/c17-16(20)12-15(13-6-2-1-3-7-13)18(10-11-19)14-8-4-5-9-14/h1-3,6-7,14-15,19H,4-5,8-12H2,(H2,17,20)
InChIKeyWDXWMLIYFBZLCQ-UHFFFAOYSA-N
XLogP2.64
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide
CID 62779762
2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol
CID 55117769
3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide
CID 62779621
3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide
CID 102862712
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62878440
3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid
CID 63074052
3-[methyl-(2-methylcyclohexyl)amino]-3-phenylpropanethioamide
CID 62780450
3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid
CID 78924050
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide
CID 55128739
3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62617126
3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949207
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-phenylpropanethioamide
CID 63275740

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide?
The IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide (CID 62780290) is 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide.
What is the SMILES notation for 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide?
The canonical SMILES for 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide is NC(=S)CC(c1ccccc1)N(CCO)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide?
The InChIKey is WDXWMLIYFBZLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c17-16(20)12-15(13-6-2-1-3-7-13)18(10-11-19)14-8-4-5-9-14/h1-3,6-7,14-15,19H,4-5,8-12H2,(H2,17,20).
What are the key properties of 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide?
3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide has a molecular weight of 292.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide is sourced from PubChem (CID 62780290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).