5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide

C16H27N3OS — CID 102925766

IUPAC5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide
SMILESCc1cc(C)nc(SCCCC(C)(NC(C)C)C(N)=O)c1
InChIInChI=1S/C16H27N3OS/c1-11(2)19-16(5,15(17)20)7-6-8-21-14-10-12(3)9-13(4)18-14/h9-11,19H,6-8H2,1-5H3,(H2,17,20)
InChIKeyMAWCTXYYBWATCM-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.81
Rot. Bonds8

About 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide

5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide (PubChem CID 102925766) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide.

Molecular Properties

Compound Name5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide
PubChem CID102925766
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide
SMILESCc1cc(C)nc(SCCCC(C)(NC(C)C)C(N)=O)c1
InChIInChI=1S/C16H27N3OS/c1-11(2)19-16(5,15(17)20)7-6-8-21-14-10-12(3)9-13(4)18-14/h9-11,19H,6-8H2,1-5H3,(H2,17,20)
InChIKeyMAWCTXYYBWATCM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide?
The IUPAC name of 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide (CID 102925766) is 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide.
What is the SMILES notation for 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide?
The canonical SMILES for 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide is Cc1cc(C)nc(SCCCC(C)(NC(C)C)C(N)=O)c1.
What is the InChIKey of 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide?
The InChIKey is MAWCTXYYBWATCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-11(2)19-16(5,15(17)20)7-6-8-21-14-10-12(3)9-13(4)18-14/h9-11,19H,6-8H2,1-5H3,(H2,17,20).
What are the key properties of 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide?
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)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 5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide is sourced from PubChem (CID 102925766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).