2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide

C12H22N2O2S — CID 107755232

IUPAC2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide
SMILESCC1OCCC1SCC(C)(NC1CC1)C(N)=O
InChIInChI=1S/C12H22N2O2S/c1-8-10(5-6-16-8)17-7-12(2,11(13)15)14-9-3-4-9/h8-10,14H,3-7H2,1-2H3,(H2,13,15)
InChIKeyWUCPLASFSOBJMO-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.89
Rot. Bonds6

About 2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide

2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide (PubChem CID 107755232) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide
PubChem CID107755232
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide
SMILESCC1OCCC1SCC(C)(NC1CC1)C(N)=O
InChIInChI=1S/C12H22N2O2S/c1-8-10(5-6-16-8)17-7-12(2,11(13)15)14-9-3-4-9/h8-10,14H,3-7H2,1-2H3,(H2,13,15)
InChIKeyWUCPLASFSOBJMO-UHFFFAOYSA-N
XLogP0.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide
CID 107755324
2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide
CID 107755170
2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide
CID 82743387
2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide
CID 107755159
ethyl 2-(cyclopropylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate
CID 107755269
3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
CID 107760881
2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanamide
CID 79670756
2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide
CID 107750203
2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82743702
2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide
CID 79326236
2-cyclopropyl-2-(methylamino)-3-(2-methyloxolan-3-yl)sulfanylpropan-1-ol
CID 107764630
ethyl 2-methyl-2-(methylamino)-6-(2-methyloxolan-3-yl)sulfanylhexanoate
CID 107755296

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide (CID 107755232) is 2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide is CC1OCCC1SCC(C)(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide?
The InChIKey is WUCPLASFSOBJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-8-10(5-6-16-8)17-7-12(2,11(13)15)14-9-3-4-9/h8-10,14H,3-7H2,1-2H3,(H2,13,15).
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide?
2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide has a molecular weight of 258.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide is sourced from PubChem (CID 107755232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).