5,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine

C17H25NS — CID 79956036

IUPAC5,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine
SMILESCC1(C)CSCC(Nc2cccc3c2CCCC3)C1
InChIInChI=1S/C17H25NS/c1-17(2)10-14(11-19-12-17)18-16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9,14,18H,3-4,6,8,10-12H2,1-2H3
InChIKeyBWYAHSAKAVEYBL-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.51
Rot. Bonds2

About 5,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine

5,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine (PubChem CID 79956036) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 5,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine
PubChem CID79956036
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name5,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine
SMILESCC1(C)CSCC(Nc2cccc3c2CCCC3)C1
InChIInChI=1S/C17H25NS/c1-17(2)10-14(11-19-12-17)18-16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9,14,18H,3-4,6,8,10-12H2,1-2H3
InChIKeyBWYAHSAKAVEYBL-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3beta,5beta,8beta)-9,10-Didehydro-2,3-dihydro-6-methyl-8-(methylthiomethyl) ergoline
CID 14107790
N-[2-(2,2,6,6-tetramethyl-4-phenylthian-4-yl)ethyl]aniline
CID 53388671
N-[4-(methylsulfanyl)benzyl]naphthalen-1-amine
CID 834720
3-Butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine
CID 11616775
4-Allylsulfanylmethyl-2,2-dimethyl-6-o-tolyl-1,2-dihydroquinoline
CID 11724520
1-Naphthalenamine, N-(1-methylpropyl)-
CID 43191134
N-(cyclohexylmethyl)-2-methyl-3-(methylsulfonylmethyl)aniline
CID 71862434
Cambridge id 5255648
CID 2837643
N-[(1-methyl-1,2,3,6-tetrahydro-4-pyridinyl)methyl]-5,6,7,8-tetrahydro-1-naphthalenamine dihydrochloride
CID 565867
N-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190044
2-Methyl-3-(thiomorpholin-4-ylmethyl)aniline
CID 43509156
N-(2-methylsulfanyl-1-phenylethyl)aniline
CID 12936071

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine?
The IUPAC name of 5,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine (CID 79956036) is 5,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine?
The canonical SMILES for 5,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine is CC1(C)CSCC(Nc2cccc3c2CCCC3)C1.
What is the InChIKey of 5,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine?
The InChIKey is BWYAHSAKAVEYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-17(2)10-14(11-19-12-17)18-16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9,14,18H,3-4,6,8,10-12H2,1-2H3.
What are the key properties of 5,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine?
5,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine has a molecular weight of 275.46 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine is sourced from PubChem (CID 79956036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).