N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide

C12H15NOS3 — CID 35368286

IUPACN-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cccc(C2SCCS2)c1
InChIInChI=1S/C12H15NOS3/c1-15-8-11(14)13-10-4-2-3-9(7-10)12-16-5-6-17-12/h2-4,7,12H,5-6,8H2,1H3,(H,13,14)
InChIKeyBOJIXSWEXGSFHB-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.47
Rot. Bonds4

About N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide

N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide (PubChem CID 35368286) has the molecular formula C12H15NOS3 and a molecular weight of 285.46 g/mol. Its IUPAC name is N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide
PubChem CID35368286
Molecular FormulaC12H15NOS3
Molecular Weight285.46 g/mol
Exact Mass285.03
IUPAC NameN-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cccc(C2SCCS2)c1
InChIInChI=1S/C12H15NOS3/c1-15-8-11(14)13-10-4-2-3-9(7-10)12-16-5-6-17-12/h2-4,7,12H,5-6,8H2,1H3,(H,13,14)
InChIKeyBOJIXSWEXGSFHB-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]butanamide;hydrochloride
CID 119692147
2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
CID 78811101
N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide
CID 32967833
N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 27843051
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
CID 26380105
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylpentanamide
CID 78811150
N-[3-(1,3-dithiolan-2-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55498469
1-[3-(1,3-dithiolan-2-yl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 78892698
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylbenzamide
CID 27889252
3-[3-(1,3-dithiolan-2-yl)phenyl]-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea
CID 97253577
2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 38797742
2-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]-3-methoxypropanamide;hydrochloride
CID 120983933

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide (CID 35368286) is N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide is CSCC(=O)Nc1cccc(C2SCCS2)c1.
What is the InChIKey of N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide?
The InChIKey is BOJIXSWEXGSFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS3/c1-15-8-11(14)13-10-4-2-3-9(7-10)12-16-5-6-17-12/h2-4,7,12H,5-6,8H2,1H3,(H,13,14).
What are the key properties of N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide?
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide has a molecular weight of 285.46 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 35368286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).