5-(methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one

C10H19NO2S — CID 159565448

IUPAC5-(methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one
SMILESCCC(=O)CSCC(=O)CCCNC
InChIInChI=1S/C10H19NO2S/c1-3-9(12)7-14-8-10(13)5-4-6-11-2/h11H,3-8H2,1-2H3
InChIKeyMHDGZGZAOZWPAC-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.27
Rot. Bonds9

About 5-(methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one

5-(methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one (PubChem CID 159565448) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 5-(methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one.

Molecular Properties

Compound Name5-(methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one
PubChem CID159565448
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name5-(methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one
SMILESCCC(=O)CSCC(=O)CCCNC
InChIInChI=1S/C10H19NO2S/c1-3-9(12)7-14-8-10(13)5-4-6-11-2/h11H,3-8H2,1-2H3
InChIKeyMHDGZGZAOZWPAC-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-1-(methylamino)nonan-4-one
CID 116555639
Butanoic acid, 4-(methylamino)-, sodium salt (1:1)
CID 162082656
(3S,5R)-3,5-dimethyl-1-[4-oxo-5-(2-oxobutylsulfanyl)pentyl]piperidine-2,6-dione
CID 167666974
N-[2-(2-oxobutylsulfanyl)ethyl]propanamide
CID 166556003
1-(4-ethylphenyl)-5-(methylamino)pentan-2-one
CID 116555578
5-amino-5-methyl-1-(methylamino)heptan-4-one
CID 145095756
N-methylmethanamine;octan-3-one
CID 174828538
dilithium;hydride;4-(methylamino)butanoic acid
CID 173352430
1-(methylamino)nonan-3-one
CID 116561157
heptadecane-3,7,11,15-tetrone
CID 160942813
(2,2,2-trifluoroacetyl) 4-(methylamino)butanoate
CID 166692390
disodium;hydride;4-(methylamino)butanoic acid;sulfane
CID 175037506

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one?
The IUPAC name of 5-(methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one (CID 159565448) is 5-(methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one.
What is the SMILES notation for 5-(methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one?
The canonical SMILES for 5-(methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one is CCC(=O)CSCC(=O)CCCNC.
What is the InChIKey of 5-(methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one?
The InChIKey is MHDGZGZAOZWPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-9(12)7-14-8-10(13)5-4-6-11-2/h11H,3-8H2,1-2H3.
What are the key properties of 5-(methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one?
5-(methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one has a molecular weight of 217.33 g/mol, XLogP of 1.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1-(2-oxobutylsulfanyl)pentan-2-one is sourced from PubChem (CID 159565448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).