2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide

C15H20N2O2S — CID 62365398

IUPAC2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCOc2ccccc21)C(N)=S
InChIInChI=1S/C15H20N2O2S/c1-9(2)13(14(16)20)15(18)17-11-7-8-19-12-6-4-3-5-10(11)12/h3-6,9,11,13H,7-8H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyOZNLZEXEEHOFPI-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.18
Rot. Bonds4

About 2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide

2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide (PubChem CID 62365398) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
PubChem CID62365398
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCOc2ccccc21)C(N)=S
InChIInChI=1S/C15H20N2O2S/c1-9(2)13(14(16)20)15(18)17-11-7-8-19-12-6-4-3-5-10(11)12/h3-6,9,11,13H,7-8H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyOZNLZEXEEHOFPI-UHFFFAOYSA-N
XLogP2.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 18115199
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535
(2R)-2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylacetamide
CID 61180627
2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 116675622
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride
CID 119268919
(2S)-2-methylsulfanyl-N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]propanamide
CID 95280877
(2R)-2-methylsulfanyl-N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]propanamide
CID 95280878
(2S,3R)-3-(cyclopentylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxybutanamide
CID 146094021
3-amino-2-methyl-3-phenyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide
CID 119761013

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide?
The IUPAC name of 2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide (CID 62365398) is 2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide is CC(C)C(C(=O)NC1CCOc2ccccc21)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide?
The InChIKey is OZNLZEXEEHOFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-9(2)13(14(16)20)15(18)17-11-7-8-19-12-6-4-3-5-10(11)12/h3-6,9,11,13H,7-8H2,1-2H3,(H2,16,20)(H,17,18).
What are the key properties of 2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide?
2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide has a molecular weight of 292.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide is sourced from PubChem (CID 62365398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).