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

C9H20N2O3S — CID 63246940

IUPAC[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESCCOCCS(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C9H20N2O3S/c1-2-14-5-6-15(12,13)11-4-3-9(7-10)8-11/h9H,2-8,10H2,1H3
InChIKeyAIAQBMQFIXPFJV-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.37
Rot. Bonds6

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

[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]methanamine (PubChem CID 63246940) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is [1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]methanamine
PubChem CID63246940
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESCCOCCS(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C9H20N2O3S/c1-2-14-5-6-15(12,13)11-4-3-9(7-10)8-11/h9H,2-8,10H2,1H3
InChIKeyAIAQBMQFIXPFJV-UHFFFAOYSA-N
XLogP-0.37
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxolane-3-sulfonamide
CID 71871888
(3S)-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide
CID 129490512
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide
CID 127332185
N-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyethanesulfonamide
CID 72121817
(1-Ethylsulfonylpyrrolidin-3-yl)methanamine
CID 62063041
N-[[1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210451
N-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210589
(1-Butan-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 146504845
Ethanesulfonate;methoxymethane;3-methylpyrrolidin-1-ium
CID 159538998
2-(Oxolan-3-ylmethylamino)ethanesulfonamide
CID 43551821
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide
CID 54952147
2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide
CID 54972236

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]methanamine (CID 63246940) is [1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]methanamine is CCOCCS(=O)(=O)N1CCC(CN)C1.
What is the InChIKey of [1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]methanamine?
The InChIKey is AIAQBMQFIXPFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-2-14-5-6-15(12,13)11-4-3-9(7-10)8-11/h9H,2-8,10H2,1H3.
What are the key properties of [1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]methanamine?
[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]methanamine has a molecular weight of 236.34 g/mol, XLogP of -0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 63246940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).