3-tert-butylsulfanyl-1-methylazetidine

C8H17NS — CID 59522762

IUPAC3-tert-butylsulfanyl-1-methylazetidine
SMILESCN1CC(SC(C)(C)C)C1
InChIInChI=1S/C8H17NS/c1-8(2,3)10-7-5-9(4)6-7/h7H,5-6H2,1-4H3
InChIKeyRGQPSDYLUKTLBN-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds1

About 3-tert-butylsulfanyl-1-methylazetidine

3-tert-butylsulfanyl-1-methylazetidine (PubChem CID 59522762) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-tert-butylsulfanyl-1-methylazetidine.

Molecular Properties

Compound Name3-tert-butylsulfanyl-1-methylazetidine
PubChem CID59522762
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-tert-butylsulfanyl-1-methylazetidine
SMILESCN1CC(SC(C)(C)C)C1
InChIInChI=1S/C8H17NS/c1-8(2,3)10-7-5-9(4)6-7/h7H,5-6H2,1-4H3
InChIKeyRGQPSDYLUKTLBN-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butylsulfanylcyclopentane
CID 545340
1-tert-butyl-3-tert-butylsulfanylpyrrolidine
CID 59522782
tert-butylsulfanylcycloundecane
CID 123259854
2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol
CID 116852387
9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 177090994
1-[(4R)-1-acetyl-4-tert-butylsulfanylpyrrolidin-2-yl]ethanone
CID 143025399
3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide
CID 71805946
5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 22943643
(3aR,6aS)-5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 90292242
1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine
CID 146227450
(3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride
CID 67294223
(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142336980

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfanyl-1-methylazetidine?
The IUPAC name of 3-tert-butylsulfanyl-1-methylazetidine (CID 59522762) is 3-tert-butylsulfanyl-1-methylazetidine.
What is the SMILES notation for 3-tert-butylsulfanyl-1-methylazetidine?
The canonical SMILES for 3-tert-butylsulfanyl-1-methylazetidine is CN1CC(SC(C)(C)C)C1.
What is the InChIKey of 3-tert-butylsulfanyl-1-methylazetidine?
The InChIKey is RGQPSDYLUKTLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(2,3)10-7-5-9(4)6-7/h7H,5-6H2,1-4H3.
What are the key properties of 3-tert-butylsulfanyl-1-methylazetidine?
3-tert-butylsulfanyl-1-methylazetidine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfanyl-1-methylazetidine is sourced from PubChem (CID 59522762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).