3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide

C12H24N2OS — CID 63918024

IUPAC3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
SMILESCCCCSCC(NCC)(C(N)=O)C1CC1
InChIInChI=1S/C12H24N2OS/c1-3-5-8-16-9-12(11(13)15,14-4-2)10-6-7-10/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyFUIABBOKBVKYAH-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.76
Rot. Bonds9

About 3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide

3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide (PubChem CID 63918024) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide.

Molecular Properties

Compound Name3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
PubChem CID63918024
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
SMILESCCCCSCC(NCC)(C(N)=O)C1CC1
InChIInChI=1S/C12H24N2OS/c1-3-5-8-16-9-12(11(13)15,14-4-2)10-6-7-10/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyFUIABBOKBVKYAH-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'}

Analyze 3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide
CID 107755622
2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide
CID 107756122
2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(ethylamino)propanamide
CID 79671804
3-butoxy-2-cyclopropyl-2-(ethylamino)propanamide
CID 63918660
3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide
CID 63919349
2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide
CID 66128112
2-cyclopropyl-2-(ethylamino)-3-heptoxypropanamide
CID 63921120
2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide
CID 63920473
methyl 3-butylsulfanyl-2-cyclopropyl-2-(methylamino)propanoate
CID 63917639
2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide
CID 63921417
2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide
CID 114234379
2-cyclopropyl-2-(cyclopropylamino)-3-pentylsulfanylpropanoic acid
CID 107755623

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide?
The IUPAC name of 3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide (CID 63918024) is 3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide.
What is the SMILES notation for 3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide?
The canonical SMILES for 3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide is CCCCSCC(NCC)(C(N)=O)C1CC1.
What is the InChIKey of 3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide?
The InChIKey is FUIABBOKBVKYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-5-8-16-9-12(11(13)15,14-4-2)10-6-7-10/h10,14H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide?
3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide 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 3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide is sourced from PubChem (CID 63918024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).