tert-butylsulfanylcycloundecane

C15H30S — CID 123259854

IUPACtert-butylsulfanylcycloundecane
SMILESCC(C)(C)SC1CCCCCCCCCC1
InChIInChI=1S/C15H30S/c1-15(2,3)16-14-12-10-8-6-4-5-7-9-11-13-14/h14H,4-13H2,1-3H3
InChIKeyAQQQJCJNXDQOHC-UHFFFAOYSA-N
MW242.47 g/mol
LogP5.80
Rot. Bonds1

About tert-butylsulfanylcycloundecane

tert-butylsulfanylcycloundecane (PubChem CID 123259854) has the molecular formula C15H30S and a molecular weight of 242.47 g/mol. Its IUPAC name is tert-butylsulfanylcycloundecane.

Molecular Properties

Compound Nametert-butylsulfanylcycloundecane
PubChem CID123259854
Molecular FormulaC15H30S
Molecular Weight242.47 g/mol
Exact Mass242.21
IUPAC Nametert-butylsulfanylcycloundecane
SMILESCC(C)(C)SC1CCCCCCCCCC1
InChIInChI=1S/C15H30S/c1-15(2,3)16-14-12-10-8-6-4-5-7-9-11-13-14/h14H,4-13H2,1-3H3
InChIKeyAQQQJCJNXDQOHC-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.47
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butylsulfanylcyclopentane
CID 545340
5-tert-butylsulfanylcyclodecan-1-one
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2-cyclohexylsulfanyl-2-cyclopropylpropanoic acid
CID 114990643
1-(2-cyclohexylsulfanylpropan-2-yl)piperazine
CID 117035794
3-tert-butylsulfanyl-1-methylazetidine
CID 59522762
(3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride
CID 67294223
2-cyclohexylsulfanyl-2-propylpentan-1-amine
CID 65139417
methanamine;methylsulfanylcyclohexane
CID 143239211
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
ethylsulfanylcycloheptane
CID 67666697
1-(2-cyclopentylsulfanyl-2-methylpropyl)piperazine
CID 117035698
tert-butylcyclopentadecane
CID 164774831

Frequently Asked Questions

What is the IUPAC name of tert-butylsulfanylcycloundecane?
The IUPAC name of tert-butylsulfanylcycloundecane (CID 123259854) is tert-butylsulfanylcycloundecane.
What is the SMILES notation for tert-butylsulfanylcycloundecane?
The canonical SMILES for tert-butylsulfanylcycloundecane is CC(C)(C)SC1CCCCCCCCCC1.
What is the InChIKey of tert-butylsulfanylcycloundecane?
The InChIKey is AQQQJCJNXDQOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30S/c1-15(2,3)16-14-12-10-8-6-4-5-7-9-11-13-14/h14H,4-13H2,1-3H3.
What are the key properties of tert-butylsulfanylcycloundecane?
tert-butylsulfanylcycloundecane has a molecular weight of 242.47 g/mol, XLogP of 5.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylsulfanylcycloundecane is sourced from PubChem (CID 123259854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).