2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide

C13H18N2O3S2 — CID 63922815

IUPAC2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NC1CCCS(=O)(=O)C1
InChIInChI=1S/C13H18N2O3S2/c14-13(16)8-19-12-6-2-1-5-11(12)15-10-4-3-7-20(17,18)9-10/h1-2,5-6,10,15H,3-4,7-9H2,(H2,14,16)
InChIKeyTVYAGFJWLFQHCI-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.25
Rot. Bonds5

About 2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide

2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide (PubChem CID 63922815) has the molecular formula C13H18N2O3S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide
PubChem CID63922815
Molecular FormulaC13H18N2O3S2
Molecular Weight314.43 g/mol
Exact Mass314.08
IUPAC Name2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NC1CCCS(=O)(=O)C1
InChIInChI=1S/C13H18N2O3S2/c14-13(16)8-19-12-6-2-1-5-11(12)15-10-4-3-7-20(17,18)9-10/h1-2,5-6,10,15H,3-4,7-9H2,(H2,14,16)
InChIKeyTVYAGFJWLFQHCI-UHFFFAOYSA-N
XLogP1.25
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 43722550
2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide
CID 43722530
2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 62709162
N-(2-chlorophenyl)-1,1-dioxothian-3-amine
CID 63910258
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610
2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722597
N-(2-tert-butylphenyl)-1,1-dioxothian-3-amine
CID 63911828
2-(2-amino-2-oxoethyl)sulfanyl-N-cyclopentylbenzamide
CID 37345038
2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide
CID 9044707
2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide
CID 63924725
2-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974553
4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide
CID 63923173

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide (CID 63922815) is 2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NC1CCCS(=O)(=O)C1.
What is the InChIKey of 2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide?
The InChIKey is TVYAGFJWLFQHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S2/c14-13(16)8-19-12-6-2-1-5-11(12)15-10-4-3-7-20(17,18)9-10/h1-2,5-6,10,15H,3-4,7-9H2,(H2,14,16).
What are the key properties of 2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide?
2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide has a molecular weight of 314.43 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide is sourced from PubChem (CID 63922815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).