N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide

C7H14N2O2S — CID 82125563

IUPACN-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide
SMILESCC(C)C(C#N)N(C)S(C)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-6(2)7(5-8)9(3)12(4,10)11/h6-7H,1-4H3
InChIKeyYIQZIXJVJNVCBQ-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.43
Rot. Bonds3

About N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide

N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide (PubChem CID 82125563) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide
PubChem CID82125563
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide
SMILESCC(C)C(C#N)N(C)S(C)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-6(2)7(5-8)9(3)12(4,10)11/h6-7H,1-4H3
InChIKeyYIQZIXJVJNVCBQ-UHFFFAOYSA-N
XLogP0.43
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyano-2-methylpropyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 166024445
1,1-dicyano-N-methyl-N-(3-methylbutan-2-yl)methanesulfonamide
CID 20715329
1,1-dicyano-N-methyl-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 90745816
1,1-dicyano-N-methyl-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 91159940
2-(1-Methylsulfonylazetidin-3-yl)acetonitrile
CID 150081399
1-cyano-N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide
CID 10889286
N-(1-cyano-2-methylpropyl)-N-methylethanesulfonamide
CID 15467292
N-(2-cyanoethyl)-N-(propan-2-yl)methanesulfonamide
CID 39870656
N-(2-cyanopropyl)-N-methylmethanesulfonamide
CID 47034394
N-[(2S)-2-cyanopropyl]-N-methylmethanesulfonamide
CID 52274213
N-[(2R)-2-cyanopropyl]-N-methylmethanesulfonamide
CID 52274214
N-(2-cyanopropyl)-N-ethylmethanesulfonamide
CID 61384825

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide (CID 82125563) is N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide is CC(C)C(C#N)N(C)S(C)(=O)=O.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide?
The InChIKey is YIQZIXJVJNVCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-6(2)7(5-8)9(3)12(4,10)11/h6-7H,1-4H3.
What are the key properties of N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide?
N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide has a molecular weight of 190.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 82125563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).