N,N-dimethyl-2-(tetrazol-1-yl)ethanesulfonamide

C5H11N5O2S — CID 54009320

IUPACN,N-dimethyl-2-(tetrazol-1-yl)ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCn1cnnn1
InChIInChI=1S/C5H11N5O2S/c1-9(2)13(11,12)4-3-10-5-6-7-8-10/h5H,3-4H2,1-2H3
InChIKeyGQIMIHVCUVITDB-UHFFFAOYSA-N
MW205.24 g/mol
LogP-1.44
Rot. Bonds4

About N,N-dimethyl-2-(tetrazol-1-yl)ethanesulfonamide

N,N-dimethyl-2-(tetrazol-1-yl)ethanesulfonamide (PubChem CID 54009320) has the molecular formula C5H11N5O2S and a molecular weight of 205.24 g/mol. Its IUPAC name is N,N-dimethyl-2-(tetrazol-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(tetrazol-1-yl)ethanesulfonamide
PubChem CID54009320
Molecular FormulaC5H11N5O2S
Molecular Weight205.24 g/mol
Exact Mass205.06
IUPAC NameN,N-dimethyl-2-(tetrazol-1-yl)ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCn1cnnn1
InChIInChI=1S/C5H11N5O2S/c1-9(2)13(11,12)4-3-10-5-6-7-8-10/h5H,3-4H2,1-2H3
InChIKeyGQIMIHVCUVITDB-UHFFFAOYSA-N
XLogP-1.44
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-1.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(tetrazol-1-yl)ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-(tetrazol-1-yl)ethanesulfonamide (CID 54009320) is N,N-dimethyl-2-(tetrazol-1-yl)ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(tetrazol-1-yl)ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-(tetrazol-1-yl)ethanesulfonamide is CN(C)S(=O)(=O)CCn1cnnn1.
What is the InChIKey of N,N-dimethyl-2-(tetrazol-1-yl)ethanesulfonamide?
The InChIKey is GQIMIHVCUVITDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O2S/c1-9(2)13(11,12)4-3-10-5-6-7-8-10/h5H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(tetrazol-1-yl)ethanesulfonamide?
N,N-dimethyl-2-(tetrazol-1-yl)ethanesulfonamide has a molecular weight of 205.24 g/mol, XLogP of -1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(tetrazol-1-yl)ethanesulfonamide is sourced from PubChem (CID 54009320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).