N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C14H18N2OS — CID 62719083

IUPACN-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCN(CC(N)=S)C(=O)C1CCCc2ccccc21
InChIInChI=1S/C14H18N2OS/c1-16(9-13(15)18)14(17)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8-9H2,1H3,(H2,15,18)
InChIKeyAHUPXJMJVDPKES-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.85
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 62719083) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID62719083
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCN(CC(N)=S)C(=O)C1CCCc2ccccc21
InChIInChI=1S/C14H18N2OS/c1-16(9-13(15)18)14(17)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8-9H2,1H3,(H2,15,18)
InChIKeyAHUPXJMJVDPKES-UHFFFAOYSA-N
XLogP1.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.85
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

1-[2-[methyl(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236130
N-(5-bromopentyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107206241
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 75805478
N-(1-aminopropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 119584567
N-(4-aminophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62719075
N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61233966
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 77044925
N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55090369
N-methyl-N-piperidin-4-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43602044
N-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63754765
2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 71326492
N-(2-amino-2-hydroxyiminoethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 77136038

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 62719083) is N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CN(CC(N)=S)C(=O)C1CCCc2ccccc21.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is AHUPXJMJVDPKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-16(9-13(15)18)14(17)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8-9H2,1H3,(H2,15,18).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 62719083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).