N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide

C13H24N2OS — CID 106827331

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
SMILESCCN(CCC(N)=S)C(=O)C1(C)CCCCC1
InChIInChI=1S/C13H24N2OS/c1-3-15(10-7-11(14)17)12(16)13(2)8-5-4-6-9-13/h3-10H2,1-2H3,(H2,14,17)
InChIKeyASAMSPASNPWVHO-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.48
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide (PubChem CID 106827331) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
PubChem CID106827331
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
SMILESCCN(CCC(N)=S)C(=O)C1(C)CCCCC1
InChIInChI=1S/C13H24N2OS/c1-3-15(10-7-11(14)17)12(16)13(2)8-5-4-6-9-13/h3-10H2,1-2H3,(H2,14,17)
InChIKeyASAMSPASNPWVHO-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 106827332
N-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 104986182
N-ethyl-1-methyl-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 143843399
N-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide
CID 78971175
N-(3-amino-3-sulfanylidenepropyl)-1-methylcyclohexane-1-carboxamide
CID 106827346
N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide
CID 103163665
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide
CID 82104164
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide
CID 114026066
N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide
CID 82103692
N-ethyl-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 63135216
N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 106828141

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide (CID 106827331) is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide is CCN(CCC(N)=S)C(=O)C1(C)CCCCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide?
The InChIKey is ASAMSPASNPWVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-3-15(10-7-11(14)17)12(16)13(2)8-5-4-6-9-13/h3-10H2,1-2H3,(H2,14,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 2.48, 5 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-ethyl-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106827331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).