2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide

C15H22N2OS — CID 63916309

IUPAC2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(CSc1ccccc1)(C(N)=O)C1CC1
InChIInChI=1S/C15H22N2OS/c1-11(2)17-15(14(16)18,12-8-9-12)10-19-13-6-4-3-5-7-13/h3-7,11-12,17H,8-10H2,1-2H3,(H2,16,18)
InChIKeyHQDQHOLWRVEEIX-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.41
Rot. Bonds7

About 2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide

2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide (PubChem CID 63916309) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide
PubChem CID63916309
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(CSc1ccccc1)(C(N)=O)C1CC1
InChIInChI=1S/C15H22N2OS/c1-11(2)17-15(14(16)18,12-8-9-12)10-19-13-6-4-3-5-7-13/h3-7,11-12,17H,8-10H2,1-2H3,(H2,16,18)
InChIKeyHQDQHOLWRVEEIX-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide
CID 63916695
2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide
CID 63918441
2-cyclopropyl-3-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)propanamide
CID 63915925
2-cyclopropyl-3-(2-methoxyphenyl)sulfanyl-2-(propan-2-ylamino)propanoic acid
CID 63921033
2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide
CID 66103202
2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide
CID 79670744
2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide
CID 63918417
3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
CID 63916885
methyl 3-benzylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 63915545
2-cyclopropyl-3-[(2-methylphenyl)methylsulfanyl]-2-(propan-2-ylamino)propanoic acid
CID 63919667
3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 63921638
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid
CID 63917288

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide (CID 63916309) is 2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide is CC(C)NC(CSc1ccccc1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide?
The InChIKey is HQDQHOLWRVEEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(2)17-15(14(16)18,12-8-9-12)10-19-13-6-4-3-5-7-13/h3-7,11-12,17H,8-10H2,1-2H3,(H2,16,18).
What are the key properties of 2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide?
2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide has a molecular weight of 278.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 63916309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).