N-(3-phenylpropyl)-3-sulfanylpropanamide

C12H17NOS — CID 107023597

IUPACN-(3-phenylpropyl)-3-sulfanylpropanamide
SMILESO=C(CCS)NCCCc1ccccc1
InChIInChI=1S/C12H17NOS/c14-12(8-10-15)13-9-4-7-11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10H2,(H,13,14)
InChIKeyHDFYSXKIUPVCNX-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.06
Rot. Bonds6

About N-(3-phenylpropyl)-3-sulfanylpropanamide

N-(3-phenylpropyl)-3-sulfanylpropanamide (PubChem CID 107023597) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3-sulfanylpropanamide
PubChem CID107023597
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-(3-phenylpropyl)-3-sulfanylpropanamide
SMILESO=C(CCS)NCCCc1ccccc1
InChIInChI=1S/C12H17NOS/c14-12(8-10-15)13-9-4-7-11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10H2,(H,13,14)
InChIKeyHDFYSXKIUPVCNX-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-(4-phenylbutyl)hexanamide
CID 4985988
3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
CID 28713423
N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide
CID 70408789
3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
CID 109030823
3-(2-methoxyethylamino)-N-(3-phenylpropyl)propanamide
CID 109015207

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3-sulfanylpropanamide?
The IUPAC name of N-(3-phenylpropyl)-3-sulfanylpropanamide (CID 107023597) is N-(3-phenylpropyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(3-phenylpropyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(3-phenylpropyl)-3-sulfanylpropanamide is O=C(CCS)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-3-sulfanylpropanamide?
The InChIKey is HDFYSXKIUPVCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-12(8-10-15)13-9-4-7-11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10H2,(H,13,14).
What are the key properties of N-(3-phenylpropyl)-3-sulfanylpropanamide?
N-(3-phenylpropyl)-3-sulfanylpropanamide has a molecular weight of 223.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107023597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).