2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide

C12H24N2OS — CID 107755622

IUPAC2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide
SMILESCCCCCSCC(NC)(C(N)=O)C1CC1
InChIInChI=1S/C12H24N2OS/c1-3-4-5-8-16-9-12(14-2,11(13)15)10-6-7-10/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyCAYACXUOUAUMPP-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.76
Rot. Bonds9

About 2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide

2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide (PubChem CID 107755622) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide
PubChem CID107755622
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide
SMILESCCCCCSCC(NC)(C(N)=O)C1CC1
InChIInChI=1S/C12H24N2OS/c1-3-4-5-8-16-9-12(14-2,11(13)15)10-6-7-10/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyCAYACXUOUAUMPP-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.76
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

2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide
CID 66128112
3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
CID 63918024
methyl 3-butylsulfanyl-2-cyclopropyl-2-(methylamino)propanoate
CID 63917639
2-cyclopropyl-2-(methylamino)-3-(2-methylsulfonylethylsulfanyl)propanamide
CID 63920078
2-cyclopropyl-2-(cyclopropylamino)-3-pentylsulfanylpropanoic acid
CID 107755623
ethyl 2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanoate
CID 66128328
2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide
CID 63921417
methyl 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propanoate
CID 63921067
2-cyclopropyl-2-(methylamino)-3-[methyl(propyl)amino]propanamide
CID 63906423
3-[(4-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(methylamino)propanamide
CID 114791773
2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide
CID 63920473
2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide
CID 63910696

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide (CID 107755622) is 2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide is CCCCCSCC(NC)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide?
The InChIKey is CAYACXUOUAUMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-4-5-8-16-9-12(14-2,11(13)15)10-6-7-10/h10,14H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide?
2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide has a molecular weight of 244.40 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide is sourced from PubChem (CID 107755622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).