N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine

C14H19NS2 — CID 62872168

IUPACN-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESc1ccc2c(c1)SCCC2NC1CCCSC1
InChIInChI=1S/C14H19NS2/c1-2-6-14-12(5-1)13(7-9-17-14)15-11-4-3-8-16-10-11/h1-2,5-6,11,13,15H,3-4,7-10H2
InChIKeyOOQDTCYQURETGP-UHFFFAOYSA-N
MW265.45 g/mol
LogP3.71
Rot. Bonds2

About N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine

N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 62872168) has the molecular formula C14H19NS2 and a molecular weight of 265.45 g/mol. Its IUPAC name is N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID62872168
Molecular FormulaC14H19NS2
Molecular Weight265.45 g/mol
Exact Mass265.10
IUPAC NameN-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESc1ccc2c(c1)SCCC2NC1CCCSC1
InChIInChI=1S/C14H19NS2/c1-2-6-14-12(5-1)13(7-9-17-14)15-11-4-3-8-16-10-11/h1-2,5-6,11,13,15H,3-4,7-10H2
InChIKeyOOQDTCYQURETGP-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine with MolForge

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Related Compounds

N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine
CID 113383826
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-dithiepan-6-amine
CID 131929126
8-fluoro-N-(thiolan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103606076
N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103777434
[2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol
CID 113262116
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62840392
N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103786604
N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide
CID 82906018
tert-butyl (3R)-3-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]piperidine-1-carboxylate
CID 94014313
1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682115
N-[(2-aminophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 66417077
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine
CID 83006635

Frequently Asked Questions

What is the IUPAC name of N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine (CID 62872168) is N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine is c1ccc2c(c1)SCCC2NC1CCCSC1.
What is the InChIKey of N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is OOQDTCYQURETGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS2/c1-2-6-14-12(5-1)13(7-9-17-14)15-11-4-3-8-16-10-11/h1-2,5-6,11,13,15H,3-4,7-10H2.
What are the key properties of N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 265.45 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 62872168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).