N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C15H21NO3S — CID 154865257

IUPACN-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C15H21NO3S/c1-11(10-20(2,18)19)16-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-6,11,14H,7-10H2,1-2H3,(H,16,17)
InChIKeyAHMBXOAROVYICH-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.34
Rot. Bonds4

About N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 154865257) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID154865257
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C15H21NO3S/c1-11(10-20(2,18)19)16-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-6,11,14H,7-10H2,1-2H3,(H,16,17)
InChIKeyAHMBXOAROVYICH-UHFFFAOYSA-N
XLogP1.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127829
4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 107126365
N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106352920
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
(2S)-3,3-dimethyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 107126261
N-(1-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127262
N-(4-bromobutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894289
N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 64629774
(2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid
CID 14557388
N-(1-bromo-3-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 114155231
N-(1-amino-2,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127299
methyl (2S)-3-phenyl-2-[[(2S)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]propanoate
CID 143932319

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 154865257) is N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC(CS(C)(=O)=O)NC(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is AHMBXOAROVYICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11(10-20(2,18)19)16-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-6,11,14H,7-10H2,1-2H3,(H,16,17).
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 295.40 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 154865257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).