3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide

C15H23N3OS — CID 102925709

IUPAC3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(Sc2cc(C)cc(C)n2)C1
InChIInChI=1S/C15H23N3OS/c1-10-7-11(2)18-13(8-10)20-12-5-4-6-15(9-12,17-3)14(16)19/h7-8,12,17H,4-6,9H2,1-3H3,(H2,16,19)
InChIKeySHVAZUYEJPANAG-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.18
Rot. Bonds4

About 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide

3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide (PubChem CID 102925709) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide
PubChem CID102925709
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(Sc2cc(C)cc(C)n2)C1
InChIInChI=1S/C15H23N3OS/c1-10-7-11(2)18-13(8-10)20-12-5-4-6-15(9-12,17-3)14(16)19/h7-8,12,17H,4-6,9H2,1-3H3,(H2,16,19)
InChIKeySHVAZUYEJPANAG-UHFFFAOYSA-N
XLogP2.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide (CID 102925709) is 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide is CNC1(C(N)=O)CCCC(Sc2cc(C)cc(C)n2)C1.
What is the InChIKey of 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is SHVAZUYEJPANAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-7-11(2)18-13(8-10)20-12-5-4-6-15(9-12,17-3)14(16)19/h7-8,12,17H,4-6,9H2,1-3H3,(H2,16,19).
What are the key properties of 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide?
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 102925709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).