2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide

C14H24N2O2S — CID 106495681

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide
SMILESNC(=O)C(CSCC1CCCO1)(NC1CC1)C1CC1
InChIInChI=1S/C14H24N2O2S/c15-13(17)14(10-3-4-10,16-11-5-6-11)9-19-8-12-2-1-7-18-12/h10-12,16H,1-9H2,(H2,15,17)
InChIKeyZQUXWXQPVFMCOF-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.28
Rot. Bonds8

About 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide

2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide (PubChem CID 106495681) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide
PubChem CID106495681
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide
SMILESNC(=O)C(CSCC1CCCO1)(NC1CC1)C1CC1
InChIInChI=1S/C14H24N2O2S/c15-13(17)14(10-3-4-10,16-11-5-6-11)9-19-8-12-2-1-7-18-12/h10-12,16H,1-9H2,(H2,15,17)
InChIKeyZQUXWXQPVFMCOF-UHFFFAOYSA-N
XLogP1.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 63909372
ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate
CID 106495711
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide
CID 63921241
2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide
CID 63916695
methyl 2-hydroxy-2-methyl-3-(oxolan-2-ylmethylsulfanyl)propanoate
CID 106493583
2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid
CID 106495612
2-cyclopropyl-3-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propanamide
CID 63909966
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 115561563
2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 63916317
2-cyclopropyl-2-(cyclopropylamino)-3-(2-hydroxyethylsulfanyl)propanoic acid
CID 63915701
2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide
CID 106495560

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide (CID 106495681) is 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide is NC(=O)C(CSCC1CCCO1)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide?
The InChIKey is ZQUXWXQPVFMCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c15-13(17)14(10-3-4-10,16-11-5-6-11)9-19-8-12-2-1-7-18-12/h10-12,16H,1-9H2,(H2,15,17).
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide?
2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide has a molecular weight of 284.43 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 106495681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).