1,2-dimethylpyrrolidine-3-sulfonamide

C6H14N2O2S — CID 89267184

IUPAC1,2-dimethylpyrrolidine-3-sulfonamide
SMILESCC1C(S(N)(=O)=O)CCN1C
InChIInChI=1S/C6H14N2O2S/c1-5-6(11(7,9)10)3-4-8(5)2/h5-6H,3-4H2,1-2H3,(H2,7,9,10)
InChIKeyNITCVETWAJXUQF-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.63
Rot. Bonds1

About 1,2-dimethylpyrrolidine-3-sulfonamide

1,2-dimethylpyrrolidine-3-sulfonamide (PubChem CID 89267184) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1,2-dimethylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1,2-dimethylpyrrolidine-3-sulfonamide
PubChem CID89267184
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name1,2-dimethylpyrrolidine-3-sulfonamide
SMILESCC1C(S(N)(=O)=O)CCN1C
InChIInChI=1S/C6H14N2O2S/c1-5-6(11(7,9)10)3-4-8(5)2/h5-6H,3-4H2,1-2H3,(H2,7,9,10)
InChIKeyNITCVETWAJXUQF-UHFFFAOYSA-N
XLogP-0.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 52326752
(Pyrrolidin-2-yl)methanesulfonamide hydrochloride
CID 132371509
N-methanesulfonyl-2-methylpyrrolidine
CID 13430731
Pyrrolidin-2-ylmethanesulfonamide
CID 54593028
N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
CID 61546212
N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 51360716
N-butanesulfonyl-2-methylpyrrolidine
CID 13468221
(1-Methylpyrrolidin-2-yl)methanesulfonyl fluoride
CID 165652493
2-(1-Methylpyrrolidin-2-yl)ethane-1-sulfonyl fluoride
CID 165870897
1-(Ethylsulfonyl)-4-pyrrolidinylpiperidine
CID 1121581
1-Pyrrolidinepropanesulfonamide, 2-ethyl-N-methyl-
CID 72137301
2-Isopropylisothiazolidine 1,1-dioxide
CID 10749528

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrrolidine-3-sulfonamide?
The IUPAC name of 1,2-dimethylpyrrolidine-3-sulfonamide (CID 89267184) is 1,2-dimethylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1,2-dimethylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1,2-dimethylpyrrolidine-3-sulfonamide is CC1C(S(N)(=O)=O)CCN1C.
What is the InChIKey of 1,2-dimethylpyrrolidine-3-sulfonamide?
The InChIKey is NITCVETWAJXUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-5-6(11(7,9)10)3-4-8(5)2/h5-6H,3-4H2,1-2H3,(H2,7,9,10).
What are the key properties of 1,2-dimethylpyrrolidine-3-sulfonamide?
1,2-dimethylpyrrolidine-3-sulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 89267184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).