3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine

C10H15ClN2O2S — CID 133386738

IUPAC3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine
SMILESCC(CCS(C)(=O)=O)Nc1ncccc1Cl
InChIInChI=1S/C10H15ClN2O2S/c1-8(5-7-16(2,14)15)13-10-9(11)4-3-6-12-10/h3-4,6,8H,5,7H2,1-2H3,(H,12,13)
InChIKeyZNWOJKNIYHOOIE-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.97
Rot. Bonds5

About 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine

3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine (PubChem CID 133386738) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine
PubChem CID133386738
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine
SMILESCC(CCS(C)(=O)=O)Nc1ncccc1Cl
InChIInChI=1S/C10H15ClN2O2S/c1-8(5-7-16(2,14)15)13-10-9(11)4-3-6-12-10/h3-4,6,8H,5,7H2,1-2H3,(H,12,13)
InChIKeyZNWOJKNIYHOOIE-UHFFFAOYSA-N
XLogP1.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine (CID 133386738) is 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine is CC(CCS(C)(=O)=O)Nc1ncccc1Cl.
What is the InChIKey of 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine?
The InChIKey is ZNWOJKNIYHOOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-8(5-7-16(2,14)15)13-10-9(11)4-3-6-12-10/h3-4,6,8H,5,7H2,1-2H3,(H,12,13).
What are the key properties of 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine?
3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine has a molecular weight of 262.76 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 133386738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).