5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine

C11H18N4O2S — CID 113418709

IUPAC5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
SMILESCCC1CCN(S(=O)(=O)c2cnc(NC)nc2)C1
InChIInChI=1S/C11H18N4O2S/c1-3-9-4-5-15(8-9)18(16,17)10-6-13-11(12-2)14-7-10/h6-7,9H,3-5,8H2,1-2H3,(H,12,13,14)
InChIKeyWXCBQADHYVCFBT-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.94
Rot. Bonds4

About 5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine

5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine (PubChem CID 113418709) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
PubChem CID113418709
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
SMILESCCC1CCN(S(=O)(=O)c2cnc(NC)nc2)C1
InChIInChI=1S/C11H18N4O2S/c1-3-9-4-5-15(8-9)18(16,17)10-6-13-11(12-2)14-7-10/h6-7,9H,3-5,8H2,1-2H3,(H,12,13,14)
InChIKeyWXCBQADHYVCFBT-UHFFFAOYSA-N
XLogP0.94
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethylmorpholin-4-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 62146813
5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62153138
5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 102964589
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 79920449
5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 62164699
5-(3-ethylpyrrolidin-1-yl)sulfonylpyridine-2-carbothioamide
CID 114614680
4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 43584842
1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol
CID 102964418
5-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 62231057
[5-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyrimidin-2-yl]hydrazine
CID 106587539
N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157065
3-chloro-N-ethyl-5-(3-ethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64602239

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine (CID 113418709) is 5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine is CCC1CCN(S(=O)(=O)c2cnc(NC)nc2)C1.
What is the InChIKey of 5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine?
The InChIKey is WXCBQADHYVCFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-3-9-4-5-15(8-9)18(16,17)10-6-13-11(12-2)14-7-10/h6-7,9H,3-5,8H2,1-2H3,(H,12,13,14).
What are the key properties of 5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine?
5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine has a molecular weight of 270.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine is sourced from PubChem (CID 113418709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).