3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide

C15H22N2S — CID 64535909

IUPAC3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CSCC1CCCC1)c1ccccc1
InChIInChI=1S/C15H22N2S/c16-15(17)14(13-8-2-1-3-9-13)11-18-10-12-6-4-5-7-12/h1-3,8-9,12,14H,4-7,10-11H2,(H3,16,17)
InChIKeyNCEFYNRNLGZOQF-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.63
Rot. Bonds6

About 3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide

3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide (PubChem CID 64535909) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide
PubChem CID64535909
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CSCC1CCCC1)c1ccccc1
InChIInChI=1S/C15H22N2S/c16-15(17)14(13-8-2-1-3-9-13)11-18-10-12-6-4-5-7-12/h1-3,8-9,12,14H,4-7,10-11H2,(H3,16,17)
InChIKeyNCEFYNRNLGZOQF-UHFFFAOYSA-N
XLogP3.63
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-tert-butylsulfanyl-2-phenylpropanimidamide
CID 64536103
3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide
CID 64537302
3-(3-methoxypropylsulfanyl)-2-phenylpropanimidamide
CID 64536706
2-(3-amino-3-imino-2-phenylpropyl)sulfanyl-N-methylacetamide
CID 114231759
3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanimidamide
CID 107770788
3-(2-methylfuran-3-yl)sulfanyl-2-phenylpropanimidamide
CID 107780467
3-(1-methylpyrazol-4-yl)sulfanyl-2-phenylpropanimidamide
CID 64535906
2-cyclopentyl-1-phenylethanol
CID 15629098
3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide
CID 79188347
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
CID 64536474
(2-cyclopentyl-1-phenylethyl)benzene
CID 138978826

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide?
The IUPAC name of 3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide (CID 64535909) is 3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide.
What is the SMILES notation for 3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide?
The canonical SMILES for 3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide is [H]/N=C(\N)C(CSCC1CCCC1)c1ccccc1.
What is the InChIKey of 3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide?
The InChIKey is NCEFYNRNLGZOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c16-15(17)14(13-8-2-1-3-9-13)11-18-10-12-6-4-5-7-12/h1-3,8-9,12,14H,4-7,10-11H2,(H3,16,17).
What are the key properties of 3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide?
3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide has a molecular weight of 262.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide is sourced from PubChem (CID 64535909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).