1-[2-(ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol

C9H20N2O3S — CID 103356705

IUPAC1-[2-(ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol
SMILESCCNCCS(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C9H20N2O3S/c1-3-10-5-7-15(13,14)11-6-4-9(2,12)8-11/h10,12H,3-8H2,1-2H3
InChIKeyKADLBCKUFLRBHN-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.62
Rot. Bonds5

About 1-[2-(ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol

1-[2-(ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol (PubChem CID 103356705) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol
PubChem CID103356705
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name1-[2-(ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol
SMILESCCNCCS(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C9H20N2O3S/c1-3-10-5-7-15(13,14)11-6-4-9(2,12)8-11/h10,12H,3-8H2,1-2H3
InChIKeyKADLBCKUFLRBHN-UHFFFAOYSA-N
XLogP-0.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[2-(ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol (CID 103356705) is 1-[2-(ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[2-(ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol is CCNCCS(=O)(=O)N1CCC(C)(O)C1.
What is the InChIKey of 1-[2-(ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol?
The InChIKey is KADLBCKUFLRBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-3-10-5-7-15(13,14)11-6-4-9(2,12)8-11/h10,12H,3-8H2,1-2H3.
What are the key properties of 1-[2-(ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol?
1-[2-(ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol has a molecular weight of 236.34 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103356705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).