N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine

C11H13N5O2S — CID 43078771

IUPACN-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine
SMILESO=S1(=O)CCC(Nc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C11H13N5O2S/c17-19(18)7-6-9(8-19)12-11-13-14-15-16(11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,12,13,15)
InChIKeyGMLYGTOQPMRWRO-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.26
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine

N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine (PubChem CID 43078771) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine
PubChem CID43078771
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine
SMILESO=S1(=O)CCC(Nc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C11H13N5O2S/c17-19(18)7-6-9(8-19)12-11-13-14-15-16(11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,12,13,15)
InChIKeyGMLYGTOQPMRWRO-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

1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
CID 79110566
N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine
CID 113428720
1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one
CID 64670207
N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine
CID 103889207
1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine
CID 2561113
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide
CID 47010898
1,1-dioxo-N-[(1-phenyltetrazol-5-yl)methyl]thiolane-3-carboxamide
CID 119071240
N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine
CID 9311708
N-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47136339
[2-[(1-phenyltetrazol-5-yl)amino]cyclohexyl]methanol
CID 106362209
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(5-methyltetrazol-1-yl)benzamide
CID 96558182
N-(1,1-dioxothian-4-yl)-1-methyltetrazol-5-amine
CID 63151905

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine (CID 43078771) is N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine is O=S1(=O)CCC(Nc2nnnn2-c2ccccc2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine?
The InChIKey is GMLYGTOQPMRWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c17-19(18)7-6-9(8-19)12-11-13-14-15-16(11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,12,13,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine?
N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-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 N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine is sourced from PubChem (CID 43078771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).