N-(3-phenylpropyl)-2-sulfanylpropanamide

C12H17NOS — CID 107023594

IUPACN-(3-phenylpropyl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCCCc1ccccc1
InChIInChI=1S/C12H17NOS/c1-10(15)12(14)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10,15H,5,8-9H2,1H3,(H,13,14)
InChIKeyUCQBNHWHIBWSSW-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.05
Rot. Bonds5

About N-(3-phenylpropyl)-2-sulfanylpropanamide

N-(3-phenylpropyl)-2-sulfanylpropanamide (PubChem CID 107023594) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-sulfanylpropanamide
PubChem CID107023594
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-(3-phenylpropyl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCCCc1ccccc1
InChIInChI=1S/C12H17NOS/c1-10(15)12(14)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10,15H,5,8-9H2,1H3,(H,13,14)
InChIKeyUCQBNHWHIBWSSW-UHFFFAOYSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.05
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

(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133
(2S)-2-amino-N-(3-phenylpropyl)butanamide
CID 79024488
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
CID 108951176
2-methyl-N-[2-[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]ethyl]propanamide
CID 111199142
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide
CID 124506857

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-sulfanylpropanamide?
The IUPAC name of N-(3-phenylpropyl)-2-sulfanylpropanamide (CID 107023594) is N-(3-phenylpropyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-sulfanylpropanamide?
The canonical SMILES for N-(3-phenylpropyl)-2-sulfanylpropanamide is CC(S)C(=O)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-2-sulfanylpropanamide?
The InChIKey is UCQBNHWHIBWSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-10(15)12(14)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10,15H,5,8-9H2,1H3,(H,13,14).
What are the key properties of N-(3-phenylpropyl)-2-sulfanylpropanamide?
N-(3-phenylpropyl)-2-sulfanylpropanamide has a molecular weight of 223.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-sulfanylpropanamide is sourced from PubChem (CID 107023594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).