N-[(1-butyltetrazol-5-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

C12H20N6O3S — CID 55626404

IUPACN-[(1-butyltetrazol-5-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCCCCn1nnnc1CN(C)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C12H20N6O3S/c1-5-6-7-18-11(13-15-16-18)8-17(4)22(19,20)12-9(2)14-21-10(12)3/h5-8H2,1-4H3
InChIKeyGKRYDVQOZVYLBQ-UHFFFAOYSA-N
MW328.40 g/mol
LogP0.90
Rot. Bonds7

About N-[(1-butyltetrazol-5-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

N-[(1-butyltetrazol-5-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 55626404) has the molecular formula C12H20N6O3S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[(1-butyltetrazol-5-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-butyltetrazol-5-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID55626404
Molecular FormulaC12H20N6O3S
Molecular Weight328.40 g/mol
Exact Mass328.13
IUPAC NameN-[(1-butyltetrazol-5-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCCCCn1nnnc1CN(C)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C12H20N6O3S/c1-5-6-7-18-11(13-15-16-18)8-17(4)22(19,20)12-9(2)14-21-10(12)3/h5-8H2,1-4H3
InChIKeyGKRYDVQOZVYLBQ-UHFFFAOYSA-N
XLogP0.90
TPSA107.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butyltetrazol-5-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(1-butyltetrazol-5-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 55626404) is N-[(1-butyltetrazol-5-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1-butyltetrazol-5-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1-butyltetrazol-5-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is CCCCn1nnnc1CN(C)S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-[(1-butyltetrazol-5-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is GKRYDVQOZVYLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O3S/c1-5-6-7-18-11(13-15-16-18)8-17(4)22(19,20)12-9(2)14-21-10(12)3/h5-8H2,1-4H3.
What are the key properties of N-[(1-butyltetrazol-5-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-[(1-butyltetrazol-5-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 328.40 g/mol, XLogP of 0.90, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyltetrazol-5-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 55626404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).