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

C10H22N2O3S — CID 120777128

IUPAC[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
SMILESCCOCCS(=O)(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C10H22N2O3S/c1-3-15-6-7-16(13,14)12-5-4-10(2,8-11)9-12/h3-9,11H2,1-2H3
InChIKeyVPTRDGKXOFJRBI-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.02
Rot. Bonds6

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

[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120777128) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120777128
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
SMILESCCOCCS(=O)(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C10H22N2O3S/c1-3-15-6-7-16(13,14)12-5-4-10(2,8-11)9-12/h3-9,11H2,1-2H3
InChIKeyVPTRDGKXOFJRBI-UHFFFAOYSA-N
XLogP0.02
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777858
(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120778075
[4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine
CID 107160245
[1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777119
3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide
CID 120777734
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride
CID 120805326
[3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120777439
3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide
CID 120778042
1-(2-ethoxyethylsulfonyl)-3-ethylpiperidine-3-carboxylic acid
CID 55176044
4-(aminomethyl)-4-methylpiperidine-1-sulfonamide
CID 107160182
[1-(azepan-1-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777813
1-(2-ethoxyethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959080

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine (CID 120777128) is [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine is CCOCCS(=O)(=O)N1CCC(C)(CN)C1.
What is the InChIKey of [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is VPTRDGKXOFJRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-15-6-7-16(13,14)12-5-4-10(2,8-11)9-12/h3-9,11H2,1-2H3.
What are the key properties of [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine?
[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 250.36 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120777128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).