3-chloro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine

C11H16ClN3O3S — CID 64600561

IUPAC3-chloro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine
SMILESCOCC1CCN(S(=O)(=O)c2cnc(N)c(Cl)c2)C1
InChIInChI=1S/C11H16ClN3O3S/c1-18-7-8-2-3-15(6-8)19(16,17)9-4-10(12)11(13)14-5-9/h4-5,8H,2-3,6-7H2,1H3,(H2,13,14)
InChIKeyYGZWVQLDWUYZPE-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.97
Rot. Bonds4

About 3-chloro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine

3-chloro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine (PubChem CID 64600561) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 3-chloro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine
PubChem CID64600561
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name3-chloro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine
SMILESCOCC1CCN(S(=O)(=O)c2cnc(N)c(Cl)c2)C1
InChIInChI=1S/C11H16ClN3O3S/c1-18-7-8-2-3-15(6-8)19(16,17)9-4-10(12)11(13)14-5-9/h4-5,8H,2-3,6-7H2,1H3,(H2,13,14)
InChIKeyYGZWVQLDWUYZPE-UHFFFAOYSA-N
XLogP0.97
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine?
The IUPAC name of 3-chloro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine (CID 64600561) is 3-chloro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine is COCC1CCN(S(=O)(=O)c2cnc(N)c(Cl)c2)C1.
What is the InChIKey of 3-chloro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine?
The InChIKey is YGZWVQLDWUYZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-18-7-8-2-3-15(6-8)19(16,17)9-4-10(12)11(13)14-5-9/h4-5,8H,2-3,6-7H2,1H3,(H2,13,14).
What are the key properties of 3-chloro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine?
3-chloro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine has a molecular weight of 305.79 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine is sourced from PubChem (CID 64600561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).