N-(2H-tetrazol-5-yl)sulfamate

CH2N5O3S- — CID 59847910

IUPACN-(2H-tetrazol-5-yl)sulfamate
SMILESO=S(=O)([O-])Nc1nn[nH]n1
InChIInChI=1S/CH3N5O3S/c7-10(8,9)4-1-2-5-6-3-1/h(H,7,8,9)(H2,2,3,4,5,6)/p-1
InChIKeyKUZTXWJMOMZSAR-UHFFFAOYSA-M
MW164.13 g/mol
LogP-1.93
Rot. Bonds2

About N-(2H-tetrazol-5-yl)sulfamate

N-(2H-tetrazol-5-yl)sulfamate (PubChem CID 59847910) has the molecular formula CH2N5O3S- and a molecular weight of 164.13 g/mol. Its IUPAC name is N-(2H-tetrazol-5-yl)sulfamate.

Molecular Properties

Compound NameN-(2H-tetrazol-5-yl)sulfamate
PubChem CID59847910
Molecular FormulaCH2N5O3S-
Molecular Weight164.13 g/mol
Exact Mass163.99
IUPAC NameN-(2H-tetrazol-5-yl)sulfamate
SMILESO=S(=O)([O-])Nc1nn[nH]n1
InChIInChI=1S/CH3N5O3S/c7-10(8,9)4-1-2-5-6-3-1/h(H,7,8,9)(H2,2,3,4,5,6)/p-1
InChIKeyKUZTXWJMOMZSAR-UHFFFAOYSA-M
XLogP-1.93
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide
CID 25048371
N'-(2H-tetrazol-5-ylsulfamoyl)ethane-1,2-diamine
CID 84761041
4-(2H-tetrazol-5-ylamino)cyclobutane-1,2,3-trione
CID 122387623
5-(sulfinatoamino)-2H-tetrazole
CID 54338892
3-N,6-N-bis(2H-tetrazol-5-yl)-1,2,4,5-tetrazine-3,6-diamine
CID 13007484
N-(2H-tetrazol-5-ylamino)formamide
CID 4608944
9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide
CID 6102777
5-(2H-tetrazol-5-ylsulfonyl)-2H-tetrazole
CID 87453730
1,1-dimethyl-3-(2H-tetrazol-5-yl)urea
CID 551595
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

Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-yl)sulfamate?
The IUPAC name of N-(2H-tetrazol-5-yl)sulfamate (CID 59847910) is N-(2H-tetrazol-5-yl)sulfamate.
What is the SMILES notation for N-(2H-tetrazol-5-yl)sulfamate?
The canonical SMILES for N-(2H-tetrazol-5-yl)sulfamate is O=S(=O)([O-])Nc1nn[nH]n1.
What is the InChIKey of N-(2H-tetrazol-5-yl)sulfamate?
The InChIKey is KUZTXWJMOMZSAR-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3N5O3S/c7-10(8,9)4-1-2-5-6-3-1/h(H,7,8,9)(H2,2,3,4,5,6)/p-1.
What are the key properties of N-(2H-tetrazol-5-yl)sulfamate?
N-(2H-tetrazol-5-yl)sulfamate has a molecular weight of 164.13 g/mol, XLogP of -1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-yl)sulfamate is sourced from PubChem (CID 59847910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).