1-phenyl-5-propylsulfonyltetrazole

C10H12N4O2S — CID 6613044

IUPAC1-phenyl-5-propylsulfonyltetrazole
SMILESCCCS(=O)(=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C10H12N4O2S/c1-2-8-17(15,16)10-11-12-13-14(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyCKKRTLFCBRPPBF-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.85
Rot. Bonds4

About 1-phenyl-5-propylsulfonyltetrazole

1-phenyl-5-propylsulfonyltetrazole (PubChem CID 6613044) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-phenyl-5-propylsulfonyltetrazole.

Molecular Properties

Compound Name1-phenyl-5-propylsulfonyltetrazole
PubChem CID6613044
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name1-phenyl-5-propylsulfonyltetrazole
SMILESCCCS(=O)(=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C10H12N4O2S/c1-2-8-17(15,16)10-11-12-13-14(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyCKKRTLFCBRPPBF-UHFFFAOYSA-N
XLogP0.85
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole
CID 684006
1H-1,2,3,4-Tetrazole, 1-(3-methylphenyl)-5-(methylsulfonyl)-
CID 5299256
Stk291648
CID 4424052
1-phenyl-5-phenylmethanesulfonyl-1H-1,2,3,4-tetrazole
CID 6618807
3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid
CID 649116
[(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid
CID 675082
5-(ethylsulfonyl)-1-[2-(methylsulfonyl)phenyl]-1H-tetrazole
CID 1778871
N-{2-[(1-phenyl-1H-tetrazol-5-yl)thio]ethyl}methanesulfonamide
CID 2222244
1-(2-Methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole
CID 2480677
2-(1-Phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole
CID 2536033
3-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]propanenitrile
CID 3242053
3-(1-Phenyl-1,2,3,4-tetraazol-5-ylthio)pentane-2,4-dione
CID 2746016

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-propylsulfonyltetrazole?
The IUPAC name of 1-phenyl-5-propylsulfonyltetrazole (CID 6613044) is 1-phenyl-5-propylsulfonyltetrazole.
What is the SMILES notation for 1-phenyl-5-propylsulfonyltetrazole?
The canonical SMILES for 1-phenyl-5-propylsulfonyltetrazole is CCCS(=O)(=O)c1nnnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-propylsulfonyltetrazole?
The InChIKey is CKKRTLFCBRPPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-2-8-17(15,16)10-11-12-13-14(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 1-phenyl-5-propylsulfonyltetrazole?
1-phenyl-5-propylsulfonyltetrazole has a molecular weight of 252.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-propylsulfonyltetrazole is sourced from PubChem (CID 6613044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).