2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide

C16H28N2OS — CID 63921241

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide
SMILESCC1CCCC(SCC(NC2CC2)(C(N)=O)C2CC2)C1
InChIInChI=1S/C16H28N2OS/c1-11-3-2-4-14(9-11)20-10-16(15(17)19,12-5-6-12)18-13-7-8-13/h11-14,18H,2-10H2,1H3,(H2,17,19)
InChIKeyHYQUXJRGLYTYCB-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.68
Rot. Bonds7

About 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide

2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide (PubChem CID 63921241) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide
PubChem CID63921241
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide
SMILESCC1CCCC(SCC(NC2CC2)(C(N)=O)C2CC2)C1
InChIInChI=1S/C16H28N2OS/c1-11-3-2-4-14(9-11)20-10-16(15(17)19,12-5-6-12)18-13-7-8-13/h11-14,18H,2-10H2,1H3,(H2,17,19)
InChIKeyHYQUXJRGLYTYCB-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63920831
2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid
CID 62721377
2-cyclopropyl-2-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)propanamide
CID 63907004
ethyl 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoate
CID 62720491
2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide
CID 106495681
3-(3-methylcyclohexyl)sulfanylpropanamide
CID 62721555
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxetan-3-ylsulfanyl)propanoate
CID 79327118
ethyl 2-methyl-2-(methylamino)-3-(3-methylcyclohexyl)sulfanylpropanoate
CID 62722466
1-methyl-3-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 130891059
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 115561563
2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide
CID 62720840
2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide
CID 63916695

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide (CID 63921241) is 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide is CC1CCCC(SCC(NC2CC2)(C(N)=O)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide?
The InChIKey is HYQUXJRGLYTYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-11-3-2-4-14(9-11)20-10-16(15(17)19,12-5-6-12)18-13-7-8-13/h11-14,18H,2-10H2,1H3,(H2,17,19).
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide?
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide has a molecular weight of 296.48 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide is sourced from PubChem (CID 63921241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).