3-(2-Methylpropane-2-sulfonyl)pyrrolidine hydrochloride

C8H18ClNO2S — CID 76145203

IUPAC3-tert-butylsulfonylpyrrolidine;hydrochloride
SMILESCC(C)(C)S(=O)(=O)C1CCNC1.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-8(2,3)12(10,11)7-4-5-9-6-7;/h7,9H,4-6H2,1-3H3;1H
InChIKeyZRZQJZYMXWYVSE-UHFFFAOYSA-N
MW227.75 g/mol
LogP—
Rot. Bonds2

About 3-(2-Methylpropane-2-sulfonyl)pyrrolidine hydrochloride

3-(2-Methylpropane-2-sulfonyl)pyrrolidine hydrochloride (PubChem CID 76145203) has the molecular formula C8H18ClNO2S and a molecular weight of 227.75 g/mol. Its IUPAC name is 3-tert-butylsulfonylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(2-Methylpropane-2-sulfonyl)pyrrolidine hydrochloride
PubChem CID76145203
Molecular FormulaC8H18ClNO2S
Molecular Weight227.75 g/mol
Exact Mass227.07
IUPAC Name3-tert-butylsulfonylpyrrolidine;hydrochloride
SMILESCC(C)(C)S(=O)(=O)C1CCNC1.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-8(2,3)12(10,11)7-4-5-9-6-7;/h7,9H,4-6H2,1-3H3;1H
InChIKeyZRZQJZYMXWYVSE-UHFFFAOYSA-N
XLogP—
TPSA54.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity245

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-Methylpropane-2-sulfonyl)pyrrolidine hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-(1,1-dioxidotetrahydrothien-3-yl)amine hydrochloride
CID 12643601
N-butyl-1,1-dioxothiolan-3-amine
CID 2831159
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 16187048
3-(Methylsulfonyl)pyrrolidine
CID 3419356
3-(Ethylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 16248236
3-Methanesulfonylpyrrolidine hydrochloride
CID 70700885
N-(1,1-dioxidotetrahydrothien-3-yl)-N-propylamine hydrochloride
CID 9551893
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide
CID 3113026
3-[(Methylamino)methyl]-1lambda6-thiolane-1,1-dione
CID 53536960
3-[(Methylamino)methyl]-1lambda6-thiolane-1,1-dione hydrochloride
CID 53536959
3-(Ethanesulfonyl)pyrrolidine hydrochloride
CID 72716323
3-(Propane-2-sulfonyl)pyrrolidine hydrochloride
CID 72716324

Frequently Asked Questions

What is the IUPAC name of 3-(2-Methylpropane-2-sulfonyl)pyrrolidine hydrochloride?
The IUPAC name of 3-(2-Methylpropane-2-sulfonyl)pyrrolidine hydrochloride (CID 76145203) is 3-tert-butylsulfonylpyrrolidine;hydrochloride.
What is the SMILES notation for 3-(2-Methylpropane-2-sulfonyl)pyrrolidine hydrochloride?
The canonical SMILES for 3-(2-Methylpropane-2-sulfonyl)pyrrolidine hydrochloride is CC(C)(C)S(=O)(=O)C1CCNC1.Cl.
What is the InChIKey of 3-(2-Methylpropane-2-sulfonyl)pyrrolidine hydrochloride?
The InChIKey is ZRZQJZYMXWYVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S.ClH/c1-8(2,3)12(10,11)7-4-5-9-6-7;/h7,9H,4-6H2,1-3H3;1H.
What are the key properties of 3-(2-Methylpropane-2-sulfonyl)pyrrolidine hydrochloride?
3-(2-Methylpropane-2-sulfonyl)pyrrolidine hydrochloride has a molecular weight of 227.75 g/mol, XLogP of not available, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-Methylpropane-2-sulfonyl)pyrrolidine hydrochloride is sourced from PubChem (CID 76145203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).