1-ethylsulfonyl-N-methylpyrrolidin-3-amine

C7H16N2O2S — CID 83698131

IUPAC1-ethylsulfonyl-N-methylpyrrolidin-3-amine
SMILESCCS(=O)(=O)N1CCC(NC)C1
InChIInChI=1S/C7H16N2O2S/c1-3-12(10,11)9-5-4-7(6-9)8-2/h7-8H,3-6H2,1-2H3
InChIKeyODLNNPYUFQKMPF-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.37
Rot. Bonds3

About 1-ethylsulfonyl-N-methylpyrrolidin-3-amine

1-ethylsulfonyl-N-methylpyrrolidin-3-amine (PubChem CID 83698131) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-methylpyrrolidin-3-amine
PubChem CID83698131
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-ethylsulfonyl-N-methylpyrrolidin-3-amine
SMILESCCS(=O)(=O)N1CCC(NC)C1
InChIInChI=1S/C7H16N2O2S/c1-3-12(10,11)9-5-4-7(6-9)8-2/h7-8H,3-6H2,1-2H3
InChIKeyODLNNPYUFQKMPF-UHFFFAOYSA-N
XLogP-0.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300302
1-but-3-enylsulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963081
N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962995
N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine
CID 63856793
1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine
CID 28731265
1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride
CID 120715396
1-(2-ethylbutylsulfonyl)-N-methylpiperidin-4-amine;hydrochloride
CID 119979973
2-[[3-(methylamino)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 115300309
(1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490378
3-chloro-1-ethylsulfonyl-4-methylpiperidine
CID 102962546
N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977837

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-ethylsulfonyl-N-methylpyrrolidin-3-amine (CID 83698131) is 1-ethylsulfonyl-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-ethylsulfonyl-N-methylpyrrolidin-3-amine is CCS(=O)(=O)N1CCC(NC)C1.
What is the InChIKey of 1-ethylsulfonyl-N-methylpyrrolidin-3-amine?
The InChIKey is ODLNNPYUFQKMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-3-12(10,11)9-5-4-7(6-9)8-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-N-methylpyrrolidin-3-amine?
1-ethylsulfonyl-N-methylpyrrolidin-3-amine has a molecular weight of 192.28 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 83698131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).