N-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide

C9H18N2O2S — CID 89340710

IUPACN-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide
SMILESCNC(=O)CCCSCCC(=O)NC
InChIInChI=1S/C9H18N2O2S/c1-10-8(12)4-3-6-14-7-5-9(13)11-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyKISNBRKELZLXML-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.38
Rot. Bonds7

About N-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide

N-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide (PubChem CID 89340710) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide.

Molecular Properties

Compound NameN-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide
PubChem CID89340710
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide
SMILESCNC(=O)CCCSCCC(=O)NC
InChIInChI=1S/C9H18N2O2S/c1-10-8(12)4-3-6-14-7-5-9(13)11-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyKISNBRKELZLXML-UHFFFAOYSA-N
XLogP0.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3'-thiobis[N-(sec-butyl)propanamide]
CID 2931410
Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide
CID 57217
N-[2-(Acetylsulfanyl)ethyl]-4-aminobutanimidic acid--hydrogen bromide (1/1)
CID 49796293
Butyramide, 2-butylthio-2-ethyl-N-methyl-
CID 48199
Butyramide, 2-ethyl-2-ethylthio-N-methyl-
CID 48203
S-(2-Acetamidoethyl) butanethioate
CID 20758541
S-[2-(4-aminobutanoylamino)ethyl] ethanethioate
CID 57218
N,N'-Dibutyl 4-thiaheptanedioic acid amide
CID 567941
Bis[2-(n-butyrylamino)ethyl]sulfoxide
CID 13624920
N-methyl-6-propan-2-ylsulfanylhexanamide
CID 176432448
S-[2-(4-acetamidobutanoylamino)ethyl] ethanethioate
CID 265129
3-[3-oxo-3-(propan-2-ylamino)propyl]sulfanyl-N-propan-2-ylpropanamide
CID 300696

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide?
The IUPAC name of N-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide (CID 89340710) is N-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide.
What is the SMILES notation for N-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide?
The canonical SMILES for N-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide is CNC(=O)CCCSCCC(=O)NC.
What is the InChIKey of N-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide?
The InChIKey is KISNBRKELZLXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-10-8(12)4-3-6-14-7-5-9(13)11-2/h3-7H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of N-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide?
N-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide has a molecular weight of 218.32 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(methylamino)-3-oxopropyl]sulfanylbutanamide is sourced from PubChem (CID 89340710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).