[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine

C9H20N2O3S — CID 120777858

IUPAC[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
SMILESCOCCS(=O)(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C9H20N2O3S/c1-9(7-10)3-4-11(8-9)15(12,13)6-5-14-2/h3-8,10H2,1-2H3
InChIKeyDFPOBJJVAUJQHR-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.37
Rot. Bonds5

About [1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine

[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120777858) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is [1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120777858
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
SMILESCOCCS(=O)(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C9H20N2O3S/c1-9(7-10)3-4-11(8-9)15(12,13)6-5-14-2/h3-8,10H2,1-2H3
InChIKeyDFPOBJJVAUJQHR-UHFFFAOYSA-N
XLogP-0.37
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777128
(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120778075
3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride
CID 120778283
[4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine
CID 107160245
3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide
CID 120777734
1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile
CID 103990319
1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 63136135
4-(aminomethyl)-4-methylpiperidine-1-sulfonamide
CID 107160182
[1-(2,6-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777089
[1-(azepan-1-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777813
[3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120777439
methyl 3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylmethyl]benzoate
CID 120778026

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine (CID 120777858) is [1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine is COCCS(=O)(=O)N1CCC(C)(CN)C1.
What is the InChIKey of [1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is DFPOBJJVAUJQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-9(7-10)3-4-11(8-9)15(12,13)6-5-14-2/h3-8,10H2,1-2H3.
What are the key properties of [1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine?
[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 236.34 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120777858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).