1-(1,1-dioxothian-4-yl)tetrazol-5-amine

C6H11N5O2S — CID 79506704

IUPAC1-(1,1-dioxothian-4-yl)tetrazol-5-amine
SMILESNc1nnnn1C1CCS(=O)(=O)CC1
InChIInChI=1S/C6H11N5O2S/c7-6-8-9-10-11(6)5-1-3-14(12,13)4-2-5/h5H,1-4H2,(H2,7,8,10)
InChIKeyXBMRYKMHBSSHAE-UHFFFAOYSA-N
MW217.25 g/mol
LogP-1.00
Rot. Bonds1

About 1-(1,1-dioxothian-4-yl)tetrazol-5-amine

1-(1,1-dioxothian-4-yl)tetrazol-5-amine (PubChem CID 79506704) has the molecular formula C6H11N5O2S and a molecular weight of 217.25 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)tetrazol-5-amine
PubChem CID79506704
Molecular FormulaC6H11N5O2S
Molecular Weight217.25 g/mol
Exact Mass217.06
IUPAC Name1-(1,1-dioxothian-4-yl)tetrazol-5-amine
SMILESNc1nnnn1C1CCS(=O)(=O)CC1
InChIInChI=1S/C6H11N5O2S/c7-6-8-9-10-11(6)5-1-3-14(12,13)4-2-5/h5H,1-4H2,(H2,7,8,10)
InChIKeyXBMRYKMHBSSHAE-UHFFFAOYSA-N
XLogP-1.00
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]aniline
CID 61352222
1-(3,3-dimethylcyclopentyl)tetrazol-5-amine
CID 114541610
5-bromo-1-(1,1-dioxothian-4-yl)pyrazol-4-amine
CID 115053194
4-[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]-2-methylaniline
CID 61353686
(3R)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide
CID 7164309
(3S)-3-(5-phenyltetrazol-1-yl)thiolane 1,1-dioxide
CID 7164310
3-[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]-4-fluoroaniline
CID 61353877
2-[4-(5-aminotetrazol-1-yl)piperidine-1-carbonyl]-2-ethylbutanoic acid
CID 166343875
4-(triazolo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117159283
1-(2-ethylcyclopentyl)tetrazol-5-amine
CID 131209401
1-cyclopropyl-5-methylsulfonyltetrazole
CID 43163673
1-cyclopentyltetrazole-5-carbaldehyde
CID 83873473

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)tetrazol-5-amine?
The IUPAC name of 1-(1,1-dioxothian-4-yl)tetrazol-5-amine (CID 79506704) is 1-(1,1-dioxothian-4-yl)tetrazol-5-amine.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)tetrazol-5-amine?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)tetrazol-5-amine is Nc1nnnn1C1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)tetrazol-5-amine?
The InChIKey is XBMRYKMHBSSHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2S/c7-6-8-9-10-11(6)5-1-3-14(12,13)4-2-5/h5H,1-4H2,(H2,7,8,10).
What are the key properties of 1-(1,1-dioxothian-4-yl)tetrazol-5-amine?
1-(1,1-dioxothian-4-yl)tetrazol-5-amine has a molecular weight of 217.25 g/mol, XLogP of -1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)tetrazol-5-amine is sourced from PubChem (CID 79506704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).