3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile

C11H22N2O2S — CID 103722467

IUPAC3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile
SMILESCCN(CCC#N)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H22N2O2S/c1-5-13(8-6-7-12)9-10-16(14,15)11(2,3)4/h5-6,8-10H2,1-4H3
InChIKeyKPZKJZIPDKIUJP-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.44
Rot. Bonds6

About 3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile

3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile (PubChem CID 103722467) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile
PubChem CID103722467
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile
SMILESCCN(CCC#N)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H22N2O2S/c1-5-13(8-6-7-12)9-10-16(14,15)11(2,3)4/h5-6,8-10H2,1-4H3
InChIKeyKPZKJZIPDKIUJP-UHFFFAOYSA-N
XLogP1.44
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine
CID 106725718
3-[2-tert-butylsulfonylethyl(methyl)amino]butanenitrile
CID 103760879
tert-butyl 3-[2-cyanoethyl(ethyl)amino]propanoate
CID 115669561
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 106728026
3-[3-ethylsulfonylpropyl(2-methylpropyl)amino]propanenitrile
CID 65092853
N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine
CID 165346498
N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine
CID 123795315
2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol
CID 103710302
N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide
CID 55248307
3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile
CID 114449033
3-[3,3-diethoxypropyl(ethyl)amino]propanenitrile
CID 63628604

Frequently Asked Questions

What is the IUPAC name of 3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile?
The IUPAC name of 3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile (CID 103722467) is 3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile?
The canonical SMILES for 3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile is CCN(CCC#N)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile?
The InChIKey is KPZKJZIPDKIUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-5-13(8-6-7-12)9-10-16(14,15)11(2,3)4/h5-6,8-10H2,1-4H3.
What are the key properties of 3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile?
3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile has a molecular weight of 246.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile is sourced from PubChem (CID 103722467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).