N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide

C15H22N2OS2 — CID 129099202

IUPACN-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide
SMILESO=C(CCSSc1ccccn1)NC1CCCCCC1
InChIInChI=1S/C15H22N2OS2/c18-14(17-13-7-3-1-2-4-8-13)10-12-19-20-15-9-5-6-11-16-15/h5-6,9,11,13H,1-4,7-8,10,12H2,(H,17,18)
InChIKeyVWLBIHSVDQZUDQ-UHFFFAOYSA-N
MW310.49 g/mol
LogP4.05
Rot. Bonds6

About N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide

N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide (PubChem CID 129099202) has the molecular formula C15H22N2OS2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide
PubChem CID129099202
Molecular FormulaC15H22N2OS2
Molecular Weight310.49 g/mol
Exact Mass310.12
IUPAC NameN-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide
SMILESO=C(CCSSc1ccccn1)NC1CCCCCC1
InChIInChI=1S/C15H22N2OS2/c18-14(17-13-7-3-1-2-4-8-13)10-12-19-20-15-9-5-6-11-16-15/h5-6,9,11,13H,1-4,7-8,10,12H2,(H,17,18)
InChIKeyVWLBIHSVDQZUDQ-UHFFFAOYSA-N
XLogP4.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(pyridin-2-yldisulfanyl)-N-[5-[3-(pyridin-2-yldisulfanyl)propanoylamino]pentyl]propanamide
CID 131993683
6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide
CID 142200515
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 143766978
6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexanoic acid
CID 12795574
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide
CID 158671854
N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 59937202
N-(7-hydroxyheptyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 59027440
N-[6-oxo-8-(pyridin-2-yldisulfanyl)octyl]-3-(pyridin-2-yldisulfanyl)propanamide
CID 58435587
methyl 4-[3-(pyridin-2-yldisulfanyl)propanoylamino]butanoate
CID 129092686
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide?
The IUPAC name of N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide (CID 129099202) is N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide?
The canonical SMILES for N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide is O=C(CCSSc1ccccn1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide?
The InChIKey is VWLBIHSVDQZUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS2/c18-14(17-13-7-3-1-2-4-8-13)10-12-19-20-15-9-5-6-11-16-15/h5-6,9,11,13H,1-4,7-8,10,12H2,(H,17,18).
What are the key properties of N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide?
N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide has a molecular weight of 310.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide is sourced from PubChem (CID 129099202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).