N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide

C14H18N2OS2 — CID 82906018

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide
SMILESO=C(NC1CCSc2ccccc21)C1CSCCN1
InChIInChI=1S/C14H18N2OS2/c17-14(12-9-18-8-6-15-12)16-11-5-7-19-13-4-2-1-3-10(11)13/h1-4,11-12,15H,5-9H2,(H,16,17)
InChIKeyUDHOBWZISOGBHT-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.04
Rot. Bonds2

About N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide

N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide (PubChem CID 82906018) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide
PubChem CID82906018
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide
SMILESO=C(NC1CCSc2ccccc21)C1CSCCN1
InChIInChI=1S/C14H18N2OS2/c17-14(12-9-18-8-6-15-12)16-11-5-7-19-13-4-2-1-3-10(11)13/h1-4,11-12,15H,5-9H2,(H,16,17)
InChIKeyUDHOBWZISOGBHT-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935385
N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119323965
5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide
CID 75617518
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide
CID 107067269
(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 81123604
(2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918838
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 64822346
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 66032874
N-(2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 42885854
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 63041813
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119291322
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide (CID 82906018) is N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide is O=C(NC1CCSc2ccccc21)C1CSCCN1.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide?
The InChIKey is UDHOBWZISOGBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c17-14(12-9-18-8-6-15-12)16-11-5-7-19-13-4-2-1-3-10(11)13/h1-4,11-12,15H,5-9H2,(H,16,17).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82906018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).