(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride

C5H13ClN2O2S — CID 66672546

IUPAC(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
SMILESCS(=O)(=O)N1CC[C@H](N)C1.Cl
InChIInChI=1S/C5H12N2O2S.ClH/c1-10(8,9)7-3-2-5(6)4-7;/h5H,2-4,6H2,1H3;1H/t5-;/m0./s1
InChIKeyFNZSDPRWSRHDQD-JEDNCBNOSA-N
MW200.69 g/mol
LogP-0.60
Rot. Bonds1

About (3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride

(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 66672546) has the molecular formula C5H13ClN2O2S and a molecular weight of 200.69 g/mol. Its IUPAC name is (3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID66672546
Molecular FormulaC5H13ClN2O2S
Molecular Weight200.69 g/mol
Exact Mass200.04
IUPAC Name(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
SMILESCS(=O)(=O)N1CC[C@H](N)C1.Cl
InChIInChI=1S/C5H12N2O2S.ClH/c1-10(8,9)7-3-2-5(6)4-7;/h5H,2-4,6H2,1H3;1H/t5-;/m0./s1
InChIKeyFNZSDPRWSRHDQD-JEDNCBNOSA-N
XLogP-0.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-fluoro-1-methylsulfonylpiperidin-4-amine
CID 171582016
3-methyl-1-methylsulfonylpiperidin-4-amine
CID 67385582
4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride
CID 162383208
(3S)-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 94340323
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908997
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971586
(3R)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962874
(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 94340197
(3R)-3-amino-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 104978147
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride (CID 66672546) is (3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride is CS(=O)(=O)N1CC[C@H](N)C1.Cl.
What is the InChIKey of (3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is FNZSDPRWSRHDQD-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H12N2O2S.ClH/c1-10(8,9)7-3-2-5(6)4-7;/h5H,2-4,6H2,1H3;1H/t5-;/m0./s1.
What are the key properties of (3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride?
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 200.69 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 66672546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).