N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide

C5H11N5O2S — CID 110870993

IUPACN-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nnnn1C
InChIInChI=1S/C5H11N5O2S/c1-3-13(11,12)6-4-5-7-8-9-10(5)2/h6H,3-4H2,1-2H3
InChIKeyMQTWADNUDWAACR-UHFFFAOYSA-N
MW205.24 g/mol
LogP-1.35
Rot. Bonds4

About N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide

N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide (PubChem CID 110870993) has the molecular formula C5H11N5O2S and a molecular weight of 205.24 g/mol. Its IUPAC name is N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide
PubChem CID110870993
Molecular FormulaC5H11N5O2S
Molecular Weight205.24 g/mol
Exact Mass205.06
IUPAC NameN-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nnnn1C
InChIInChI=1S/C5H11N5O2S/c1-3-13(11,12)6-4-5-7-8-9-10(5)2/h6H,3-4H2,1-2H3
InChIKeyMQTWADNUDWAACR-UHFFFAOYSA-N
XLogP-1.35
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
CID 110870998
3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
CID 110870999
N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine
CID 161464390
N-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine
CID 130723785
N-[2-(1-methyltetrazol-5-yl)ethyl]propanamide
CID 110871029
copper;bis(1-methyl-5-[2-(1-methyltetrazol-5-yl)ethyl]tetrazole);diperchlorate;dihydrate
CID 139142359
2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide
CID 110870969
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]ethanesulfonamide
CID 131901484
2-(1-methyltetrazol-5-yl)ethanethioic S-acid
CID 20511253
5-(2-chloroethyl)-1-methyltetrazole
CID 12595134
1-methyl-5-(methylsulfanylmethyl)tetrazole
CID 18985597
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide (CID 110870993) is N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1nnnn1C.
What is the InChIKey of N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide?
The InChIKey is MQTWADNUDWAACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O2S/c1-3-13(11,12)6-4-5-7-8-9-10(5)2/h6H,3-4H2,1-2H3.
What are the key properties of N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide?
N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide has a molecular weight of 205.24 g/mol, XLogP of -1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 110870993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).