2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide

C13H25N3O2S — CID 114234392

IUPAC2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide
SMILESCCNC(=O)CSCCCC(C)(NC1CC1)C(N)=O
InChIInChI=1S/C13H25N3O2S/c1-3-15-11(17)9-19-8-4-7-13(2,12(14)18)16-10-5-6-10/h10,16H,3-9H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyUJNCGVACPIVCFS-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.63
Rot. Bonds10

About 2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide

2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide (PubChem CID 114234392) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide
PubChem CID114234392
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide
SMILESCCNC(=O)CSCCCC(C)(NC1CC1)C(N)=O
InChIInChI=1S/C13H25N3O2S/c1-3-15-11(17)9-19-8-4-7-13(2,12(14)18)16-10-5-6-10/h10,16H,3-9H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyUJNCGVACPIVCFS-UHFFFAOYSA-N
XLogP0.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide
CID 63660311
2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide
CID 79326236
2-(cyclopropylamino)-2-methyl-6-(2-propoxyethoxy)hexanamide
CID 63685314
2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide
CID 79184111
2-(cycloheptylamino)-2-methylnonanamide
CID 60998647
2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide
CID 63696970
2-(cyclopropylamino)-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylhexanamide
CID 63465500
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 63954453
ethyl 2-(cyclopropylamino)-2-methyl-6-pentylsulfanylhexanoate
CID 107755513
5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide
CID 62804810
2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide
CID 116535495
2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide
CID 62232161

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide?
The IUPAC name of 2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide (CID 114234392) is 2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide.
What is the SMILES notation for 2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide?
The canonical SMILES for 2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide is CCNC(=O)CSCCCC(C)(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide?
The InChIKey is UJNCGVACPIVCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-3-15-11(17)9-19-8-4-7-13(2,12(14)18)16-10-5-6-10/h10,16H,3-9H2,1-2H3,(H2,14,18)(H,15,17).
What are the key properties of 2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide?
2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide has a molecular weight of 287.43 g/mol, XLogP of 0.63, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide is sourced from PubChem (CID 114234392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).