5-(sulfinatoamino)-2H-tetrazole

CH2N5O2S- — CID 54338892

IUPAC5-(sulfinatoamino)-2H-tetrazole
SMILESO=S([O-])Nc1nn[nH]n1
InChIInChI=1S/CH3N5O2S/c7-9(8)4-1-2-5-6-3-1/h(H,7,8)(H2,2,3,4,5,6)/p-1
InChIKeyNUTVJBBVCHPAFT-UHFFFAOYSA-M
MW148.13 g/mol
LogP-1.59
Rot. Bonds2

About 5-(sulfinatoamino)-2H-tetrazole

5-(sulfinatoamino)-2H-tetrazole (PubChem CID 54338892) has the molecular formula CH2N5O2S- and a molecular weight of 148.13 g/mol. Its IUPAC name is 5-(sulfinatoamino)-2H-tetrazole.

Molecular Properties

Compound Name5-(sulfinatoamino)-2H-tetrazole
PubChem CID54338892
Molecular FormulaCH2N5O2S-
Molecular Weight148.13 g/mol
Exact Mass147.99
IUPAC Name5-(sulfinatoamino)-2H-tetrazole
SMILESO=S([O-])Nc1nn[nH]n1
InChIInChI=1S/CH3N5O2S/c7-9(8)4-1-2-5-6-3-1/h(H,7,8)(H2,2,3,4,5,6)/p-1
InChIKeyNUTVJBBVCHPAFT-UHFFFAOYSA-M
XLogP-1.59
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

N-(2H-tetrazol-5-yl)sulfamate
CID 59847910
3-N,6-N-bis(2H-tetrazol-5-yl)-1,2,4,5-tetrazine-3,6-diamine
CID 13007484
4-(2H-tetrazol-5-ylamino)cyclobutane-1,2,3-trione
CID 122387623
N-(2H-tetrazol-5-ylamino)formamide
CID 4608944
1,1-dimethyl-3-(2H-tetrazol-5-yl)urea
CID 551595
2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide
CID 140956956
4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide
CID 25048371
N-(2-methylpropyl)-2H-tetrazol-5-amine
CID 82667932
3-chloro-N-(2H-tetrazol-5-yl)propanamide
CID 3253359
N-(2-methylbutan-2-yl)-2H-tetrazol-5-amine
CID 164660645
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide
CID 15164340
N-(2H-tetrazol-5-yl)triazin-4-amine
CID 133064897

Frequently Asked Questions

What is the IUPAC name of 5-(sulfinatoamino)-2H-tetrazole?
The IUPAC name of 5-(sulfinatoamino)-2H-tetrazole (CID 54338892) is 5-(sulfinatoamino)-2H-tetrazole.
What is the SMILES notation for 5-(sulfinatoamino)-2H-tetrazole?
The canonical SMILES for 5-(sulfinatoamino)-2H-tetrazole is O=S([O-])Nc1nn[nH]n1.
What is the InChIKey of 5-(sulfinatoamino)-2H-tetrazole?
The InChIKey is NUTVJBBVCHPAFT-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3N5O2S/c7-9(8)4-1-2-5-6-3-1/h(H,7,8)(H2,2,3,4,5,6)/p-1.
What are the key properties of 5-(sulfinatoamino)-2H-tetrazole?
5-(sulfinatoamino)-2H-tetrazole has a molecular weight of 148.13 g/mol, XLogP of -1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(sulfinatoamino)-2H-tetrazole is sourced from PubChem (CID 54338892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).