N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide

C14H20N2OS — CID 55098586

IUPACN-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide
SMILESO=C(CCNCCSc1ccccc1)NC1CC1
InChIInChI=1S/C14H20N2OS/c17-14(16-12-6-7-12)8-9-15-10-11-18-13-4-2-1-3-5-13/h1-5,12,15H,6-11H2,(H,16,17)
InChIKeyXLXDEAMWZQOBTB-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.04
Rot. Bonds8

About N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide

N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide (PubChem CID 55098586) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide
PubChem CID55098586
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide
SMILESO=C(CCNCCSc1ccccc1)NC1CC1
InChIInChI=1S/C14H20N2OS/c17-14(16-12-6-7-12)8-9-15-10-11-18-13-4-2-1-3-5-13/h1-5,12,15H,6-11H2,(H,16,17)
InChIKeyXLXDEAMWZQOBTB-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide
CID 60661799
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide
CID 18163734
cis-(1R,3S)-3-(4-phenylsulfanylbutanoylamino)cyclopentane-1-carboxylic acid
CID 106320189
N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide
CID 62352584
N-(1,1-dioxothiolan-3-yl)-3-phenylsulfanylpropanamide
CID 51073754
N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide
CID 71786219
4-(2-phenylsulfanylethylamino)butanamide
CID 79214062
2-phenylsulfanyl-N-[2-[2-(2-phenylsulfanylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 6431756
2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide
CID 87026412
tert-butyl 3-(2-phenylsulfanylethylamino)propanoate
CID 103240872
2-(2-phenylsulfanylethylamino)ethylurea
CID 83113958

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide?
The IUPAC name of N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide (CID 55098586) is N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide?
The canonical SMILES for N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide is O=C(CCNCCSc1ccccc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide?
The InChIKey is XLXDEAMWZQOBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c17-14(16-12-6-7-12)8-9-15-10-11-18-13-4-2-1-3-5-13/h1-5,12,15H,6-11H2,(H,16,17).
What are the key properties of N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide?
N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide has a molecular weight of 264.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide is sourced from PubChem (CID 55098586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).