6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine

C9H17NS — CID 134920059

IUPAC6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine
SMILESCC(C)(C)SC1=NCCCC1
InChIInChI=1S/C9H17NS/c1-9(2,3)11-8-6-4-5-7-10-8/h4-7H2,1-3H3
InChIKeyBTMAZDZVIHIYQF-UHFFFAOYSA-N
MW171.31 g/mol
LogP3.10
Rot. Bonds

About 6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine

6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine (PubChem CID 134920059) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine
PubChem CID134920059
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine
SMILESCC(C)(C)SC1=NCCCC1
InChIInChI=1S/C9H17NS/c1-9(2,3)11-8-6-4-5-7-10-8/h4-7H2,1-3H3
InChIKeyBTMAZDZVIHIYQF-UHFFFAOYSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,4,5-tetrahydropyridin-6-ylsulfanyl)propanoic acid
CID 43906986
6-(2,3,4,5-tetrahydropyridin-6-yl)-2,3,4,5-tetrahydropyridine
CID 19101375
ethane;6-methyl-2,3,4,5-tetrahydropyridine
CID 91488935
2,3-dimethyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)butan-2-ol
CID 106189917
1-(4-bromophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone;hydrobromide
CID 134103642
2-chloro-7-methylsulfanyl-5,6-dihydro-4H-1,3-diazepine
CID 123641180
2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride
CID 162367804
2-iodo-1-azacyclotridecene
CID 134919966
N-(4-methylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79006687
5-(2,2-dimethylpropyl)-3,4-dihydro-2H-pyrrole
CID 155095468
4-ethylsulfanyl-2,3-dihydroazete
CID 19911804
N',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
CID 79508863

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine (CID 134920059) is 6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine is CC(C)(C)SC1=NCCCC1.
What is the InChIKey of 6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine?
The InChIKey is BTMAZDZVIHIYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-9(2,3)11-8-6-4-5-7-10-8/h4-7H2,1-3H3.
What are the key properties of 6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine?
6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine has a molecular weight of 171.31 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 134920059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).