N-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine

C5H12N6O2S — CID 114810044

IUPACN-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine
SMILESCC(C)NS(=O)(=O)NCc1nn[nH]n1
InChIInChI=1S/C5H12N6O2S/c1-4(2)9-14(12,13)6-3-5-7-10-11-8-5/h4,6,9H,3H2,1-2H3,(H,7,8,10,11)
InChIKeyNKONSAVEXNNMCT-UHFFFAOYSA-N
MW220.26 g/mol
LogP-1.47
Rot. Bonds5

About N-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine

N-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine (PubChem CID 114810044) has the molecular formula C5H12N6O2S and a molecular weight of 220.26 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine
PubChem CID114810044
Molecular FormulaC5H12N6O2S
Molecular Weight220.26 g/mol
Exact Mass220.07
IUPAC NameN-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine
SMILESCC(C)NS(=O)(=O)NCc1nn[nH]n1
InChIInChI=1S/C5H12N6O2S/c1-4(2)9-14(12,13)6-3-5-7-10-11-8-5/h4,6,9H,3H2,1-2H3,(H,7,8,10,11)
InChIKeyNKONSAVEXNNMCT-UHFFFAOYSA-N
XLogP-1.47
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine
CID 114810038
N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide
CID 61856376
[2-(sulfoamino)-1-(2H-tetrazol-5-yl)ethyl]sulfamic acid
CID 69727369
methane;1-(2H-tetrazol-5-yl)ethanamine
CID 161842351
5-methyl-2H-tetrazole;propan-2-amine
CID 173199638
5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2H-tetrazole
CID 61854193
5-[[[butyl(methyl)sulfamoyl]amino]methyl]-2H-tetrazole
CID 61854207
N-[1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-1-sulfonamide
CID 61854381
5-[1-(dimethylsulfamoylamino)ethyl]-2H-tetrazole
CID 61854580
5-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-2H-tetrazole
CID 61854585
5-[(dimethylsulfamoylamino)methyl]-2H-tetrazole
CID 61854595
N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide
CID 61854974

Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine?
The IUPAC name of N-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine (CID 114810044) is N-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine?
The canonical SMILES for N-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine is CC(C)NS(=O)(=O)NCc1nn[nH]n1.
What is the InChIKey of N-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine?
The InChIKey is NKONSAVEXNNMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N6O2S/c1-4(2)9-14(12,13)6-3-5-7-10-11-8-5/h4,6,9H,3H2,1-2H3,(H,7,8,10,11).
What are the key properties of N-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine?
N-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine has a molecular weight of 220.26 g/mol, XLogP of -1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine is sourced from PubChem (CID 114810044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).