1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine

C9H20N2O3S — CID 115300302

IUPAC1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine
SMILESCCOCCS(=O)(=O)N1CCC(NC)C1
InChIInChI=1S/C9H20N2O3S/c1-3-14-6-7-15(12,13)11-5-4-9(8-11)10-2/h9-10H,3-8H2,1-2H3
InChIKeyGRPHWNMPANWYNW-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.35
Rot. Bonds6

About 1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine

1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine (PubChem CID 115300302) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine
PubChem CID115300302
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine
SMILESCCOCCS(=O)(=O)N1CCC(NC)C1
InChIInChI=1S/C9H20N2O3S/c1-3-14-6-7-15(12,13)11-5-4-9(8-11)10-2/h9-10H,3-8H2,1-2H3
InChIKeyGRPHWNMPANWYNW-UHFFFAOYSA-N
XLogP-0.35
TPSA58.64 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 ≤ 5-0.35
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-ethylsulfonyl-N-methylpyrrolidin-3-amine
CID 83698131
1-[1-(2-ethoxyethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627567
4-bromo-1-(2-ethoxyethylsulfonyl)-3-methylpiperidine
CID 114683697
1-(2-ethoxyethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959080
3-bromo-1-(2-ethoxyethylsulfonyl)piperidine
CID 80677126
(3R)-1-(2-ethoxyethylsulfonyl)-3-methylpiperazine
CID 104975175
1-but-3-enylsulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963081
N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 55258778
(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 63246538
2-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813727
N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine
CID 63856793

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine (CID 115300302) is 1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine is CCOCCS(=O)(=O)N1CCC(NC)C1.
What is the InChIKey of 1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine?
The InChIKey is GRPHWNMPANWYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-3-14-6-7-15(12,13)11-5-4-9(8-11)10-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine?
1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine has a molecular weight of 236.34 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethylsulfonyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115300302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).