4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide

C16H27N3OS — CID 102925681

IUPAC4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)Sc1cc(C)cc(C)n1)C(N)=O
InChIInChI=1S/C16H27N3OS/c1-6-7-18-16(5,15(17)20)10-13(4)21-14-9-11(2)8-12(3)19-14/h8-9,13,18H,6-7,10H2,1-5H3,(H2,17,20)
InChIKeyLEQSICFPCNAQQI-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.81
Rot. Bonds8

About 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide

4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide (PubChem CID 102925681) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide.

Molecular Properties

Compound Name4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
PubChem CID102925681
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)Sc1cc(C)cc(C)n1)C(N)=O
InChIInChI=1S/C16H27N3OS/c1-6-7-18-16(5,15(17)20)10-13(4)21-14-9-11(2)8-12(3)19-14/h8-9,13,18H,6-7,10H2,1-5H3,(H2,17,20)
InChIKeyLEQSICFPCNAQQI-UHFFFAOYSA-N
XLogP2.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide?
The IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide (CID 102925681) is 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide.
What is the SMILES notation for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide?
The canonical SMILES for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide is CCCNC(C)(CC(C)Sc1cc(C)cc(C)n1)C(N)=O.
What is the InChIKey of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide?
The InChIKey is LEQSICFPCNAQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-6-7-18-16(5,15(17)20)10-13(4)21-14-9-11(2)8-12(3)19-14/h8-9,13,18H,6-7,10H2,1-5H3,(H2,17,20).
What are the key properties of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide?
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide has a molecular weight of 309.48 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide is sourced from PubChem (CID 102925681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).