3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide

C13H26N2OS — CID 63916489

IUPAC3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide
SMILESCCCNC(CSC(C)CC)(C(N)=O)C1CC1
InChIInChI=1S/C13H26N2OS/c1-4-8-15-13(12(14)16,11-6-7-11)9-17-10(3)5-2/h10-11,15H,4-9H2,1-3H3,(H2,14,16)
InChIKeyZSOYCXCEXQIOFZ-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.15
Rot. Bonds9

About 3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide

3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide (PubChem CID 63916489) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide.

Molecular Properties

Compound Name3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide
PubChem CID63916489
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide
SMILESCCCNC(CSC(C)CC)(C(N)=O)C1CC1
InChIInChI=1S/C13H26N2OS/c1-4-8-15-13(12(14)16,11-6-7-11)9-17-10(3)5-2/h10-11,15H,4-9H2,1-3H3,(H2,14,16)
InChIKeyZSOYCXCEXQIOFZ-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide
CID 63921417
3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanoic acid
CID 63916296
2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide
CID 114234379
ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate
CID 63921616
2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide
CID 63907693
2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide
CID 63920473
2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanyl-2-(propylamino)propanamide
CID 107782042
2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)-2-(propylamino)propanoic acid
CID 107771845
ethyl 2-cyclopropyl-3-(3-methylbutan-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107755679
2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide
CID 107756122
2-cyclopropyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)propanamide
CID 63916084
2-cyclopropyl-3-[ethyl(2-methylpropyl)amino]-2-(propylamino)propanamide
CID 63908718

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide?
The IUPAC name of 3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide (CID 63916489) is 3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide.
What is the SMILES notation for 3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide?
The canonical SMILES for 3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide is CCCNC(CSC(C)CC)(C(N)=O)C1CC1.
What is the InChIKey of 3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide?
The InChIKey is ZSOYCXCEXQIOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-4-8-15-13(12(14)16,11-6-7-11)9-17-10(3)5-2/h10-11,15H,4-9H2,1-3H3,(H2,14,16).
What are the key properties of 3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide?
3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide has a molecular weight of 258.43 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide is sourced from PubChem (CID 63916489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).