3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide

C8H15N3O2S — CID 131196763

IUPAC3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CC#N)C1
InChIInChI=1S/C8H15N3O2S/c1-10(2)14(12,13)11-6-4-8(7-11)3-5-9/h8H,3-4,6-7H2,1-2H3
InChIKeyJQGMKELSKVXNBQ-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.03
Rot. Bonds3

About 3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide

3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 131196763) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID131196763
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CC#N)C1
InChIInChI=1S/C8H15N3O2S/c1-10(2)14(12,13)11-6-4-8(7-11)3-5-9/h8H,3-4,6-7H2,1-2H3
InChIKeyJQGMKELSKVXNBQ-UHFFFAOYSA-N
XLogP0.03
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyanomethylsulfonyl)pyrrolidin-3-yl]acetonitrile
CID 130871080
N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide
CID 110736099
4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 55258202
3-(bromomethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 80674172
(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125010419
3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide
CID 71805946
4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 122161873
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 119977585
4-chloro-N,N-dimethylazepane-1-sulfonamide
CID 131107442
2-(1-propylpyrrolidin-3-yl)acetonitrile
CID 66545592
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119977584
(3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124959917

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide (CID 131196763) is 3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(CC#N)C1.
What is the InChIKey of 3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is JQGMKELSKVXNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-10(2)14(12,13)11-6-4-8(7-11)3-5-9/h8H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide?
3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 131196763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).