5-(azetidin-3-ylsulfanyl)-4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentanamide

C15H30N2OS2 — CID 155183386

IUPAC5-(azetidin-3-ylsulfanyl)-4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentanamide
SMILESCC(C)CSCCNC(=O)CCC(C)CSC1CNC1
InChIInChI=1S/C15H30N2OS2/c1-12(2)10-19-7-6-17-15(18)5-4-13(3)11-20-14-8-16-9-14/h12-14,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyBHWSSGXWFQQATL-UHFFFAOYSA-N
MW318.55 g/mol
LogP2.61
Rot. Bonds11

About 5-(azetidin-3-ylsulfanyl)-4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentanamide

5-(azetidin-3-ylsulfanyl)-4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentanamide (PubChem CID 155183386) has the molecular formula C15H30N2OS2 and a molecular weight of 318.55 g/mol. Its IUPAC name is 5-(azetidin-3-ylsulfanyl)-4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-(azetidin-3-ylsulfanyl)-4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentanamide
PubChem CID155183386
Molecular FormulaC15H30N2OS2
Molecular Weight318.55 g/mol
Exact Mass318.18
IUPAC Name5-(azetidin-3-ylsulfanyl)-4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentanamide
SMILESCC(C)CSCCNC(=O)CCC(C)CSC1CNC1
InChIInChI=1S/C15H30N2OS2/c1-12(2)10-19-7-6-17-15(18)5-4-13(3)11-20-14-8-16-9-14/h12-14,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyBHWSSGXWFQQATL-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 52.61
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-(azetidin-3-ylsulfanyl)-4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentanamide?
The IUPAC name of 5-(azetidin-3-ylsulfanyl)-4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentanamide (CID 155183386) is 5-(azetidin-3-ylsulfanyl)-4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentanamide.
What is the SMILES notation for 5-(azetidin-3-ylsulfanyl)-4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentanamide?
The canonical SMILES for 5-(azetidin-3-ylsulfanyl)-4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentanamide is CC(C)CSCCNC(=O)CCC(C)CSC1CNC1.
What is the InChIKey of 5-(azetidin-3-ylsulfanyl)-4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentanamide?
The InChIKey is BHWSSGXWFQQATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS2/c1-12(2)10-19-7-6-17-15(18)5-4-13(3)11-20-14-8-16-9-14/h12-14,16H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 5-(azetidin-3-ylsulfanyl)-4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentanamide?
5-(azetidin-3-ylsulfanyl)-4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentanamide has a molecular weight of 318.55 g/mol, XLogP of 2.61, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylsulfanyl)-4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentanamide is sourced from PubChem (CID 155183386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).