2-butan-2-ylsulfanylcyclopentane-1-carbonitrile

C10H17NS — CID 43293209

IUPAC2-butan-2-ylsulfanylcyclopentane-1-carbonitrile
SMILESCCC(C)SC1CCCC1C#N
InChIInChI=1S/C10H17NS/c1-3-8(2)12-10-6-4-5-9(10)7-11/h8-10H,3-6H2,1-2H3
InChIKeyMARMCCUAFGMZBT-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.21
Rot. Bonds3

About 2-butan-2-ylsulfanylcyclopentane-1-carbonitrile

2-butan-2-ylsulfanylcyclopentane-1-carbonitrile (PubChem CID 43293209) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-butan-2-ylsulfanylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-butan-2-ylsulfanylcyclopentane-1-carbonitrile
PubChem CID43293209
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-butan-2-ylsulfanylcyclopentane-1-carbonitrile
SMILESCCC(C)SC1CCCC1C#N
InChIInChI=1S/C10H17NS/c1-3-8(2)12-10-6-4-5-9(10)7-11/h8-10H,3-6H2,1-2H3
InChIKeyMARMCCUAFGMZBT-UHFFFAOYSA-N
XLogP3.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methylsulfanyl)cyclopentane-1-carbonitrile
CID 12771999
3-((2-Ethylhexyl)thio)-2-methylpropiononitrile
CID 3022900
2-Cyanopropyl-ethyl-(2-ethylhexyl)sulfanium
CID 6453537
2-(2-Methyl-5-propan-2-ylthiolan-2-yl)acetonitrile
CID 22150011
(2R)-2,5-dimethylthiolane-3-carbonitrile
CID 89363350
2-Ethyl-3-methylsulfanylpentanenitrile
CID 89403364
3-(Cyclobutylmethylsulfanyl)cyclopentane-1-carbonitrile
CID 139502327
cis-(1S,3S)-3-(cyclobutylmethylsulfanyl)-1-methylcyclopentane-1-carbonitrile
CID 145017847
3-[(Trimethyl-lambda4-sulfanyl)methyl]hexanedinitrile
CID 146319893
6-Tert-butylsulfanyl-2-methylhexanenitrile
CID 11117046
2-Ethylsulfanylcyclopentane-1-carbonitrile
CID 43293218
2-Propylsulfanylcyclopentane-1-carbonitrile
CID 43293227

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanylcyclopentane-1-carbonitrile?
The IUPAC name of 2-butan-2-ylsulfanylcyclopentane-1-carbonitrile (CID 43293209) is 2-butan-2-ylsulfanylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2-butan-2-ylsulfanylcyclopentane-1-carbonitrile?
The canonical SMILES for 2-butan-2-ylsulfanylcyclopentane-1-carbonitrile is CCC(C)SC1CCCC1C#N.
What is the InChIKey of 2-butan-2-ylsulfanylcyclopentane-1-carbonitrile?
The InChIKey is MARMCCUAFGMZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-8(2)12-10-6-4-5-9(10)7-11/h8-10H,3-6H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanylcyclopentane-1-carbonitrile?
2-butan-2-ylsulfanylcyclopentane-1-carbonitrile has a molecular weight of 183.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanylcyclopentane-1-carbonitrile is sourced from PubChem (CID 43293209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).