N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine

C10H22N2O2S — CID 106615294

IUPACN-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(CCS(C)(=O)=O)CC1CCCN1
InChIInChI=1S/C10H22N2O2S/c1-3-12(7-8-15(2,13)14)9-10-5-4-6-11-10/h10-11H,3-9H2,1-2H3
InChIKeyZRQCSSUXOGYBRX-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.10
Rot. Bonds6

About N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine

N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106615294) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106615294
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(CCS(C)(=O)=O)CC1CCCN1
InChIInChI=1S/C10H22N2O2S/c1-3-12(7-8-15(2,13)14)9-10-5-4-6-11-10/h10-11H,3-9H2,1-2H3
InChIKeyZRQCSSUXOGYBRX-UHFFFAOYSA-N
XLogP0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615516
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300
3-methylsulfonyl-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
CID 106635862
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide
CID 106614989
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine
CID 106615069
1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106608529
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 106615318
2-ethoxy-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 63696688
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106615294) is N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine is CCN(CCS(C)(=O)=O)CC1CCCN1.
What is the InChIKey of N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is ZRQCSSUXOGYBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-3-12(7-8-15(2,13)14)9-10-5-4-6-11-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 234.36 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106615294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).