2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide

C12H22N2O2S — CID 79326236

IUPAC2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide
SMILESCC(CCCSC1COC1)(NC1CC1)C(N)=O
InChIInChI=1S/C12H22N2O2S/c1-12(11(13)15,14-9-3-4-9)5-2-6-17-10-7-16-8-10/h9-10,14H,2-8H2,1H3,(H2,13,15)
InChIKeyWANXTPGYLLSBKP-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.89
Rot. Bonds8

About 2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide

2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide (PubChem CID 79326236) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide
PubChem CID79326236
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide
SMILESCC(CCCSC1COC1)(NC1CC1)C(N)=O
InChIInChI=1S/C12H22N2O2S/c1-12(11(13)15,14-9-3-4-9)5-2-6-17-10-7-16-8-10/h9-10,14H,2-8H2,1H3,(H2,13,15)
InChIKeyWANXTPGYLLSBKP-UHFFFAOYSA-N
XLogP0.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(cyclopropylamino)-2-methyl-6-(oxetan-3-ylsulfanyl)hexanoate
CID 79326458
2-(cyclopropylamino)-5-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-methylpentanamide
CID 114234392
6-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylhexanoic acid
CID 63115953
2-(cyclopropylamino)-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanamide
CID 82743641
2-(cyclopropylamino)-2-methyl-6-(2-methylsulfonylethylsulfanyl)hexanamide
CID 63660311
2-(cyclopropylamino)-2-methyl-6-(2-propoxyethoxy)hexanamide
CID 63685314
2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide
CID 63696970
5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide
CID 62804810
2-methyl-3-(oxetan-3-ylsulfanyl)-2-(propan-2-ylamino)propanamide
CID 79325666
2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide
CID 116535495
2-(cycloheptylamino)-2-methylnonanamide
CID 60998647
2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide
CID 66224091

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide (CID 79326236) is 2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide is CC(CCCSC1COC1)(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide?
The InChIKey is WANXTPGYLLSBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-12(11(13)15,14-9-3-4-9)5-2-6-17-10-7-16-8-10/h9-10,14H,2-8H2,1H3,(H2,13,15).
What are the key properties of 2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide?
2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide has a molecular weight of 258.39 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-5-(oxetan-3-ylsulfanyl)pentanamide is sourced from PubChem (CID 79326236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).