2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide

C13H25N3O2S — CID 114234379

IUPAC2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide
SMILESCCCNC(CSCC(=O)NCC)(C(N)=O)C1CC1
InChIInChI=1S/C13H25N3O2S/c1-3-7-16-13(12(14)18,10-5-6-10)9-19-8-11(17)15-4-2/h10,16H,3-9H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyFJKQSBHIBCZLGR-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.49
Rot. Bonds10

About 2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide

2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide (PubChem CID 114234379) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide
PubChem CID114234379
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide
SMILESCCCNC(CSCC(=O)NCC)(C(N)=O)C1CC1
InChIInChI=1S/C13H25N3O2S/c1-3-7-16-13(12(14)18,10-5-6-10)9-19-8-11(17)15-4-2/h10,16H,3-9H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyFJKQSBHIBCZLGR-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide
CID 63921417
2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide
CID 63920473
3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide
CID 63916489
3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
CID 63918024
2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanamide
CID 63909203
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)propanamide
CID 63921435
2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanyl-2-(propylamino)propanamide
CID 107782042
2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide
CID 107756122
2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide
CID 63907693
2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide
CID 79671804
2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide
CID 83221829
2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanamide
CID 63910704

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide (CID 114234379) is 2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide is CCCNC(CSCC(=O)NCC)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide?
The InChIKey is FJKQSBHIBCZLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-3-7-16-13(12(14)18,10-5-6-10)9-19-8-11(17)15-4-2/h10,16H,3-9H2,1-2H3,(H2,14,18)(H,15,17).
What are the key properties of 2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide?
2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide has a molecular weight of 287.43 g/mol, XLogP of 0.49, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide is sourced from PubChem (CID 114234379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).