2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine

C8H18N2O2S — CID 130964385

IUPAC2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine
SMILESCC1CCN(S(=O)(=O)CCN)C1C
InChIInChI=1S/C8H18N2O2S/c1-7-3-5-10(8(7)2)13(11,12)6-4-9/h7-8H,3-6,9H2,1-2H3
InChIKeyRIXBTLJNKBWWMR-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.01
Rot. Bonds3

About 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine

2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine (PubChem CID 130964385) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine.

Molecular Properties

Compound Name2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine
PubChem CID130964385
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine
SMILESCC1CCN(S(=O)(=O)CCN)C1C
InChIInChI=1S/C8H18N2O2S/c1-7-3-5-10(8(7)2)13(11,12)6-4-9/h7-8H,3-6,9H2,1-2H3
InChIKeyRIXBTLJNKBWWMR-UHFFFAOYSA-N
XLogP0.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylpyrrolidin-1-yl)sulfonylacetic acid
CID 130834658
2,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine
CID 22291187
[1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102778572
(2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol
CID 130610281
1-(bromomethylsulfonyl)-2,3-dimethylpiperidine
CID 83085659
1-(chloromethylsulfonyl)-2,3-dimethylpiperidine
CID 63666234
(2R,3S)-1-(4-methoxybutylsulfonyl)-2,3-dimethylpiperidine
CID 124617691
2-(2-propylpiperidin-1-yl)sulfonylethanamine
CID 83053375
1-(2-aminoethylsulfonyl)piperidin-4-ol
CID 16781197
1-(2-aminoethylsulfonyl)pyrrolidine-2-carboxamide
CID 43212156
1-(2-aminoethylsulfonyl)pyrrolidin-3-ol
CID 62941538
[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786449

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine?
The IUPAC name of 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine (CID 130964385) is 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine.
What is the SMILES notation for 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine?
The canonical SMILES for 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine is CC1CCN(S(=O)(=O)CCN)C1C.
What is the InChIKey of 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine?
The InChIKey is RIXBTLJNKBWWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7-3-5-10(8(7)2)13(11,12)6-4-9/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine?
2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine has a molecular weight of 206.31 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine is sourced from PubChem (CID 130964385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).