N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide

C11H22N2O2S — CID 55248307

IUPACN-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide
SMILESCC(C)CN(CCC#N)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H22N2O2S/c1-10(2)9-13(8-6-7-12)16(14,15)11(3,4)5/h10H,6,8-9H2,1-5H3
InChIKeyNFFDTQHURAYVTG-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.99
Rot. Bonds5

About N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide

N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide (PubChem CID 55248307) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide
PubChem CID55248307
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide
SMILESCC(C)CN(CCC#N)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H22N2O2S/c1-10(2)9-13(8-6-7-12)16(14,15)11(3,4)5/h10H,6,8-9H2,1-5H3
InChIKeyNFFDTQHURAYVTG-UHFFFAOYSA-N
XLogP1.99
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-(2-methylpropyl)-1-methylsulfonylmethanesulfonamide
CID 82842637
N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)ethanesulfonamide
CID 79589740
2-[tert-butylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63689160
4-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 61140706
2,5-dibromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 61218146
2,4-dichloro-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 103088037
2-chloro-4-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 103989351
4-amino-2-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 61139569
N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 60659898
3-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 61140705
3-amino-N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 61138618
3-amino-5-chloro-N-(2-cyanoethyl)-2-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 103050911

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide (CID 55248307) is N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide is CC(C)CN(CCC#N)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide?
The InChIKey is NFFDTQHURAYVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-10(2)9-13(8-6-7-12)16(14,15)11(3,4)5/h10H,6,8-9H2,1-5H3.
What are the key properties of N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide?
N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide has a molecular weight of 246.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)propane-2-sulfonamide is sourced from PubChem (CID 55248307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).