N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide

C11H22N2OS — CID 82103796

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide
SMILESCCCCCCN(CCC(N)=S)C(C)=O
InChIInChI=1S/C11H22N2OS/c1-3-4-5-6-8-13(10(2)14)9-7-11(12)15/h3-9H2,1-2H3,(H2,12,15)
InChIKeyVDWCFCRCZIZTFI-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.09
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide

N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide (PubChem CID 82103796) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide
PubChem CID82103796
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide
SMILESCCCCCCN(CCC(N)=S)C(C)=O
InChIInChI=1S/C11H22N2OS/c1-3-4-5-6-8-13(10(2)14)9-7-11(12)15/h3-9H2,1-2H3,(H2,12,15)
InChIKeyVDWCFCRCZIZTFI-UHFFFAOYSA-N
XLogP2.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
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-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
N-butyl-N-heptylacetamide
CID 91713167
N-(2-aminoethyl)-N-hexylacetamide
CID 174728155
3-[dodecyl(methyl)amino]propanethioamide
CID 63515133
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
CID 65449539
methyl 5-[acetyl(dodecyl)amino]pentanoate
CID 14219899
1-butyl-1-dodecylurea
CID 168918855
N',N'-dioctadecyloxamide
CID 54497742
2-ethylhexyl 3-[acetyl(dodecyl)amino]propanoate
CID 11418462

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide (CID 82103796) is N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide is CCCCCCN(CCC(N)=S)C(C)=O.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide?
The InChIKey is VDWCFCRCZIZTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-3-4-5-6-8-13(10(2)14)9-7-11(12)15/h3-9H2,1-2H3,(H2,12,15).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide has a molecular weight of 230.38 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide is sourced from PubChem (CID 82103796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).