N-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide

C10H22N2O2S — CID 21364503

IUPACN-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide
SMILESCCN(CCC1CCCN1C)S(C)(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-4-12(15(3,13)14)9-7-10-6-5-8-11(10)2/h10H,4-9H2,1-3H3
InChIKeyIXTSRGFQRGHGMQ-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.75
Rot. Bonds5

About N-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide

N-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide (PubChem CID 21364503) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide
PubChem CID21364503
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide
SMILESCCN(CCC1CCCN1C)S(C)(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-4-12(15(3,13)14)9-7-10-6-5-8-11(10)2/h10H,4-9H2,1-3H3
InChIKeyIXTSRGFQRGHGMQ-UHFFFAOYSA-N
XLogP0.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide (CID 21364503) is N-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide is CCN(CCC1CCCN1C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide?
The InChIKey is IXTSRGFQRGHGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-12(15(3,13)14)9-7-10-6-5-8-11(10)2/h10H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide?
N-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 21364503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).