3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine

C14H22ClN3O2S — CID 64601331

IUPAC3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
SMILESCCNc1ncc(S(=O)(=O)N2CCCC(C)(C)C2)cc1Cl
InChIInChI=1S/C14H22ClN3O2S/c1-4-16-13-12(15)8-11(9-17-13)21(19,20)18-7-5-6-14(2,3)10-18/h8-9H,4-7,10H2,1-3H3,(H,16,17)
InChIKeyCGUYYIKXCLEFMG-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.98
Rot. Bonds4

About 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine

3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine (PubChem CID 64601331) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
PubChem CID64601331
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
SMILESCCNc1ncc(S(=O)(=O)N2CCCC(C)(C)C2)cc1Cl
InChIInChI=1S/C14H22ClN3O2S/c1-4-16-13-12(15)8-11(9-17-13)21(19,20)18-7-5-6-14(2,3)10-18/h8-9H,4-7,10H2,1-3H3,(H,16,17)
InChIKeyCGUYYIKXCLEFMG-UHFFFAOYSA-N
XLogP2.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine (CID 64601331) is 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine is CCNc1ncc(S(=O)(=O)N2CCCC(C)(C)C2)cc1Cl.
What is the InChIKey of 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine?
The InChIKey is CGUYYIKXCLEFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-4-16-13-12(15)8-11(9-17-13)21(19,20)18-7-5-6-14(2,3)10-18/h8-9H,4-7,10H2,1-3H3,(H,16,17).
What are the key properties of 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine?
3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine has a molecular weight of 331.87 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine is sourced from PubChem (CID 64601331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).