6-(ethanethioylamino)-N-methylhexanamide

C9H18N2OS — CID 143768441

IUPAC6-(ethanethioylamino)-N-methylhexanamide
SMILESCNC(=O)CCCCCNC(C)=S
InChIInChI=1S/C9H18N2OS/c1-8(13)11-7-5-3-4-6-9(12)10-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyNAZLEKYYHKLAGF-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.23
Rot. Bonds6

About 6-(ethanethioylamino)-N-methylhexanamide

6-(ethanethioylamino)-N-methylhexanamide (PubChem CID 143768441) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 6-(ethanethioylamino)-N-methylhexanamide.

Molecular Properties

Compound Name6-(ethanethioylamino)-N-methylhexanamide
PubChem CID143768441
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name6-(ethanethioylamino)-N-methylhexanamide
SMILESCNC(=O)CCCCCNC(C)=S
InChIInChI=1S/C9H18N2OS/c1-8(13)11-7-5-3-4-6-9(12)10-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyNAZLEKYYHKLAGF-UHFFFAOYSA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethylheptanediamide
CID 15166696
N-methyl-11-(methylamino)undecanamide
CID 59809097
ethane;N-methyl-6-(propanoylamino)hexanamide
CID 145098119
6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine
CID 169247906
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide
CID 170258094
16-[[4-(methylamino)-4-oxobutyl]amino]-16-oxohexadecane-1-sulfonic acid
CID 138712454
N-methylheptacosanamide
CID 18175889
N-methylundecanamide
CID 23297450
N-methylnonadecanamide
CID 2724821
N'-(6-aminohexyl)-N-methylbutanediamide
CID 155220266
N-methyl-6-sulfanylhexanamide
CID 58262294

Frequently Asked Questions

What is the IUPAC name of 6-(ethanethioylamino)-N-methylhexanamide?
The IUPAC name of 6-(ethanethioylamino)-N-methylhexanamide (CID 143768441) is 6-(ethanethioylamino)-N-methylhexanamide.
What is the SMILES notation for 6-(ethanethioylamino)-N-methylhexanamide?
The canonical SMILES for 6-(ethanethioylamino)-N-methylhexanamide is CNC(=O)CCCCCNC(C)=S.
What is the InChIKey of 6-(ethanethioylamino)-N-methylhexanamide?
The InChIKey is NAZLEKYYHKLAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-8(13)11-7-5-3-4-6-9(12)10-2/h3-7H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of 6-(ethanethioylamino)-N-methylhexanamide?
6-(ethanethioylamino)-N-methylhexanamide has a molecular weight of 202.32 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethanethioylamino)-N-methylhexanamide is sourced from PubChem (CID 143768441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).