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

C15H20N2OS — CID 107126715

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(C(N)=S)N(C)C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C15H20N2OS/c1-10(14(16)19)17(2)15(18)13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13H,7-9H2,1-2H3,(H2,16,19)
InChIKeyXJZFMXUGZDBQIH-UHFFFAOYSA-N
MW276.41 g/mol
LogP1.92
Rot. Bonds3

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

N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107126715) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107126715
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(C(N)=S)N(C)C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C15H20N2OS/c1-10(14(16)19)17(2)15(18)13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13H,7-9H2,1-2H3,(H2,16,19)
InChIKeyXJZFMXUGZDBQIH-UHFFFAOYSA-N
XLogP1.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 51.92
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-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127553
N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126000
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106892918
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703954
N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126398
N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127677
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106892916
cyclopentyl(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409165
N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127696
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107493235
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107126715) is N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC(C(N)=S)N(C)C(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is XJZFMXUGZDBQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(14(16)19)17(2)15(18)13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13H,7-9H2,1-2H3,(H2,16,19).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 276.41 g/mol, XLogP of 1.92, 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-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107126715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).