N-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide

C14H20N2OS — CID 119524658

IUPACN-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide
SMILESCC(C)(CN)NC(=O)C1SCCc2ccccc21
InChIInChI=1S/C14H20N2OS/c1-14(2,9-15)16-13(17)12-11-6-4-3-5-10(11)7-8-18-12/h3-6,12H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyUBNUTLRQHDJWFN-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.87
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide

N-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide (PubChem CID 119524658) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide
PubChem CID119524658
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide
SMILESCC(C)(CN)NC(=O)C1SCCc2ccccc21
InChIInChI=1S/C14H20N2OS/c1-14(2,9-15)16-13(17)12-11-6-4-3-5-10(11)7-8-18-12/h3-6,12H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyUBNUTLRQHDJWFN-UHFFFAOYSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-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-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide;hydrochloride
CID 119575505
N-(1-amino-2,4-dimethylpentan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide;hydrochloride
CID 119599956
N-methyl-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 71995241
N-[3-(methylamino)propyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide;hydrochloride
CID 119433658
N-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride
CID 119524742
2-[[(1R)-3,4-dihydro-1H-isothiochromene-1-carbonyl]amino]acetic acid
CID 124704794
2-[[(1S)-3,4-dihydro-1H-isothiochromene-1-carbonyl]amino]acetic acid
CID 124704816
N-(4-aminocyclohexyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 119478498
(2R)-2-(3,4-dihydro-1H-isothiochromene-1-carbonylamino)propanoic acid
CID 119244164
3,4-dihydro-1H-isothiochromene-1-carboxylic acid
CID 54595778
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 111479018
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119524618

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide (CID 119524658) is N-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide is CC(C)(CN)NC(=O)C1SCCc2ccccc21.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide?
The InChIKey is UBNUTLRQHDJWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-14(2,9-15)16-13(17)12-11-6-4-3-5-10(11)7-8-18-12/h3-6,12H,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide is sourced from PubChem (CID 119524658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).