1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine

C11H13N5O2S — CID 63162681

IUPAC1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine
SMILESO=S1(=O)CCC(Nc2ccccc2-n2cnnn2)C1
InChIInChI=1S/C11H13N5O2S/c17-19(18)6-5-9(7-19)13-10-3-1-2-4-11(10)16-8-12-14-15-16/h1-4,8-9,13H,5-7H2
InChIKeyZAJXBBDWYXMZPK-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.26
Rot. Bonds3

About 1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine

1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine (PubChem CID 63162681) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine
PubChem CID63162681
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine
SMILESO=S1(=O)CCC(Nc2ccccc2-n2cnnn2)C1
InChIInChI=1S/C11H13N5O2S/c17-19(18)6-5-9(7-19)13-10-3-1-2-4-11(10)16-8-12-14-15-16/h1-4,8-9,13H,5-7H2
InChIKeyZAJXBBDWYXMZPK-UHFFFAOYSA-N
XLogP0.26
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine
CID 43702152
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1,1-dioxo-N-[4-(tetrazol-1-yl)phenyl]thian-3-amine
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1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine
CID 65074659
N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 42534528
5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(tetrazol-1-yl)benzamide
CID 29133006
3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 75416132
N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline
CID 55096519
1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine
CID 43511595
N-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47136339
2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine
CID 79911434
N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
CID 96556851

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine (CID 63162681) is 1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine is O=S1(=O)CCC(Nc2ccccc2-n2cnnn2)C1.
What is the InChIKey of 1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine?
The InChIKey is ZAJXBBDWYXMZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c17-19(18)6-5-9(7-19)13-10-3-1-2-4-11(10)16-8-12-14-15-16/h1-4,8-9,13H,5-7H2.
What are the key properties of 1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine?
1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine has a molecular weight of 279.32 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine is sourced from PubChem (CID 63162681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).