5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride

C6H15ClN2O2S — CID 146150570

IUPAC5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride
SMILESCC1(C)CC(S(N)(=O)=O)CN1.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-6(2)3-5(4-8-6)11(7,9)10;/h5,8H,3-4H2,1-2H3,(H2,7,9,10);1H
InChIKeyMDWOKDPNUWABJA-UHFFFAOYSA-N
MW214.72 g/mol
LogP-0.16
Rot. Bonds1

About 5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride

5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride (PubChem CID 146150570) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride
PubChem CID146150570
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC Name5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride
SMILESCC1(C)CC(S(N)(=O)=O)CN1.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-6(2)3-5(4-8-6)11(7,9)10;/h5,8H,3-4H2,1-2H3,(H2,7,9,10);1H
InChIKeyMDWOKDPNUWABJA-UHFFFAOYSA-N
XLogP-0.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-methylsulfonylpiperidine
CID 118615851
(3S)-5,5-dimethylpyrrolidine-3-carboxamide
CID 129142107
(3S)-5,5-dimethylpyrrolidine-3-carbaldehyde
CID 141296159
(3S,5S)-5-methylpiperidine-3-sulfonamide
CID 142359349
(2S,7R,9R,14R)-2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetrazacyclotetradecane
CID 139079648
2,2-dimethyl-4-propan-2-ylpyrrolidine
CID 117269783
4-ethenyl-2,2-dimethylpyrrolidine
CID 145126401
2-[(5,5-dimethylpyrrolidin-3-yl)-propan-2-ylamino]acetamide
CID 82013214
2-methylpropane;piperidine-3-sulfonamide
CID 162108453
2-[(5,5-dimethylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetamide
CID 82015032
trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
CID 7154578
ethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate
CID 134552702

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride?
The IUPAC name of 5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride (CID 146150570) is 5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride.
What is the SMILES notation for 5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride?
The canonical SMILES for 5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride is CC1(C)CC(S(N)(=O)=O)CN1.Cl.
What is the InChIKey of 5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride?
The InChIKey is MDWOKDPNUWABJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c1-6(2)3-5(4-8-6)11(7,9)10;/h5,8H,3-4H2,1-2H3,(H2,7,9,10);1H.
What are the key properties of 5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride?
5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 146150570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).