N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine

C12H19N3O3S — CID 103538318

IUPACN-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESCCNc1cc(S(=O)(=O)N2CCC(OC)C2)ccn1
InChIInChI=1S/C12H19N3O3S/c1-3-13-12-8-11(4-6-14-12)19(16,17)15-7-5-10(9-15)18-2/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,13,14)
InChIKeyDVXOJIMQJSGVNW-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.92
Rot. Bonds5

About N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine

N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 103538318) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
PubChem CID103538318
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESCCNc1cc(S(=O)(=O)N2CCC(OC)C2)ccn1
InChIInChI=1S/C12H19N3O3S/c1-3-13-12-8-11(4-6-14-12)19(16,17)15-7-5-10(9-15)18-2/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,13,14)
InChIKeyDVXOJIMQJSGVNW-UHFFFAOYSA-N
XLogP0.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 62942337
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine
CID 79933811
4-(4-cyclopropylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62152286
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 55043507
[1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol
CID 62164530
2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine
CID 102957078
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 102964531
N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
CID 62152799
[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789194
1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol
CID 62153093
[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 103535101
4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 113228640

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine (CID 103538318) is N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine is CCNc1cc(S(=O)(=O)N2CCC(OC)C2)ccn1.
What is the InChIKey of N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is DVXOJIMQJSGVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-13-12-8-11(4-6-14-12)19(16,17)15-7-5-10(9-15)18-2/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine?
N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 285.37 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 103538318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).