N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide

C13H24N2OS — CID 65018667

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide
SMILESCC(C(N)=S)N(C)C(=O)C1CCCCCCC1
InChIInChI=1S/C13H24N2OS/c1-10(12(14)17)15(2)13(16)11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H2,14,17)
InChIKeyDFVIXWNSXCXYCI-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.48
Rot. Bonds3

About N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide

N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide (PubChem CID 65018667) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide
PubChem CID65018667
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide
SMILESCC(C(N)=S)N(C)C(=O)C1CCCCCCC1
InChIInChI=1S/C13H24N2OS/c1-10(12(14)17)15(2)13(16)11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H2,14,17)
InChIKeyDFVIXWNSXCXYCI-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide
CID 77052808
ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate
CID 69164951
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,1-dioxothiane-2-carboxamide
CID 113422081
N-butan-2-yl-N-methylcyclohexanecarboxamide
CID 153425265
N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide
CID 115869363
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126715
N-[(1S)-1-cyclopropylethyl]-N-methylcyclopentanecarboxamide
CID 52522891
N-(1-chloropropan-2-yl)-N-methylcyclooctanecarboxamide
CID 104555564
N-(1-aminopropan-2-yl)-N-methylcyclobutanecarboxamide
CID 82503227
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
CID 76987598
N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide
CID 104555934
1-aminoethanol;cyclohexanecarboxylic acid
CID 173051544

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide (CID 65018667) is N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide is CC(C(N)=S)N(C)C(=O)C1CCCCCCC1.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide?
The InChIKey is DFVIXWNSXCXYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-10(12(14)17)15(2)13(16)11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H2,14,17).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide has a molecular weight of 256.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcyclooctanecarboxamide is sourced from PubChem (CID 65018667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).