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

C10H13IN2OS2 — CID 143766978

IUPACN-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide
SMILESO=C(CCSSc1ccccn1)NCCI
InChIInChI=1S/C10H13IN2OS2/c11-5-7-12-9(14)4-8-15-16-10-3-1-2-6-13-10/h1-3,6H,4-5,7-8H2,(H,12,14)
InChIKeyKVIOPJWESBCUAO-UHFFFAOYSA-N
MW368.27 g/mol
LogP2.76
Rot. Bonds7

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

N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide (PubChem CID 143766978) has the molecular formula C10H13IN2OS2 and a molecular weight of 368.27 g/mol. Its IUPAC name is N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide
PubChem CID143766978
Molecular FormulaC10H13IN2OS2
Molecular Weight368.27 g/mol
Exact Mass367.95
IUPAC NameN-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide
SMILESO=C(CCSSc1ccccn1)NCCI
InChIInChI=1S/C10H13IN2OS2/c11-5-7-12-9(14)4-8-15-16-10-3-1-2-6-13-10/h1-3,6H,4-5,7-8H2,(H,12,14)
InChIKeyKVIOPJWESBCUAO-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(pyridin-2-yldisulfanyl)-N-[5-[3-(pyridin-2-yldisulfanyl)propanoylamino]pentyl]propanamide
CID 131993683
3-(pyridin-2-yldisulfanyl)-N-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethyl]propanamide
CID 156598931
N-(7-hydroxyheptyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 59027440
6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexanoic acid
CID 12795574
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-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 59937202
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[2-(pyridin-2-yldisulfanyl)ethylamino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 118988570
N-(8-methoxy-3,3,6,6-tetramethyloctyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 123332520
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(pyridin-2-yldisulfanyl)ethyl]propanamide
CID 118072306
N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-3-(pyridin-2-yldisulfanyl)propanamide
CID 121265091
N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide
CID 129099202

Frequently Asked Questions

What is the IUPAC name of N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide?
The IUPAC name of N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide (CID 143766978) is N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide.
What is the SMILES notation for N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide?
The canonical SMILES for N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide is O=C(CCSSc1ccccn1)NCCI.
What is the InChIKey of N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide?
The InChIKey is KVIOPJWESBCUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2OS2/c11-5-7-12-9(14)4-8-15-16-10-3-1-2-6-13-10/h1-3,6H,4-5,7-8H2,(H,12,14).
What are the key properties of N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide?
N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide has a molecular weight of 368.27 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide is sourced from PubChem (CID 143766978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).