[2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thiolan-3-yl]methanamine

C14H22N2S2 — CID 114080132

IUPAC[2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thiolan-3-yl]methanamine
SMILESCC1c2ccsc2CCN1C1(CN)CCSC1C
InChIInChI=1S/C14H22N2S2/c1-10-12-4-7-18-13(12)3-6-16(10)14(9-15)5-8-17-11(14)2/h4,7,10-11H,3,5-6,8-9,15H2,1-2H3
InChIKeyKWCUASWYOUQRIN-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.89
Rot. Bonds2

About [2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thiolan-3-yl]methanamine

[2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thiolan-3-yl]methanamine (PubChem CID 114080132) has the molecular formula C14H22N2S2 and a molecular weight of 282.48 g/mol. Its IUPAC name is [2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thiolan-3-yl]methanamine
PubChem CID114080132
Molecular FormulaC14H22N2S2
Molecular Weight282.48 g/mol
Exact Mass282.12
IUPAC Name[2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thiolan-3-yl]methanamine
SMILESCC1c2ccsc2CCN1C1(CN)CCSC1C
InChIInChI=1S/C14H22N2S2/c1-10-12-4-7-18-13(12)3-6-16(10)14(9-15)5-8-17-11(14)2/h4,7,10-11H,3,5-6,8-9,15H2,1-2H3
InChIKeyKWCUASWYOUQRIN-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexyl]methanamine
CID 55011166
1-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine
CID 55008611
4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine
CID 55011505
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
CID 60699782
2-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]butan-1-amine
CID 55056659
[6-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-2-pyridinyl]methanamine
CID 106906070
2-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-2-amine
CID 55008664
2-cyclopropyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-amine
CID 55009206
5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 83085545
3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine
CID 64735839
(4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 155312390
3-methoxy-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine
CID 103225923

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thiolan-3-yl]methanamine?
The IUPAC name of [2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thiolan-3-yl]methanamine (CID 114080132) is [2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thiolan-3-yl]methanamine is CC1c2ccsc2CCN1C1(CN)CCSC1C.
What is the InChIKey of [2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thiolan-3-yl]methanamine?
The InChIKey is KWCUASWYOUQRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S2/c1-10-12-4-7-18-13(12)3-6-16(10)14(9-15)5-8-17-11(14)2/h4,7,10-11H,3,5-6,8-9,15H2,1-2H3.
What are the key properties of [2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thiolan-3-yl]methanamine?
[2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thiolan-3-yl]methanamine has a molecular weight of 282.48 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 114080132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).