2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole

C15H22N6O2S — CID 175641941

IUPAC2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole
SMILESCN(C)S(=O)(=O)NC1CCC(n2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C15H22N6O2S/c1-20(2)24(22,23)18-13-8-10-14(11-9-13)21-17-15(16-19-21)12-6-4-3-5-7-12/h3-7,13-14,18H,8-11H2,1-2H3
InChIKeyIPCQYGFLNTVLGY-UHFFFAOYSA-N
MW350.45 g/mol
LogP1.22
Rot. Bonds5

About 2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole

2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole (PubChem CID 175641941) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole
PubChem CID175641941
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole
SMILESCN(C)S(=O)(=O)NC1CCC(n2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C15H22N6O2S/c1-20(2)24(22,23)18-13-8-10-14(11-9-13)21-17-15(16-19-21)12-6-4-3-5-7-12/h3-7,13-14,18H,8-11H2,1-2H3
InChIKeyIPCQYGFLNTVLGY-UHFFFAOYSA-N
XLogP1.22
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole?
The IUPAC name of 2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole (CID 175641941) is 2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole.
What is the SMILES notation for 2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole?
The canonical SMILES for 2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole is CN(C)S(=O)(=O)NC1CCC(n2nnc(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole?
The InChIKey is IPCQYGFLNTVLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-20(2)24(22,23)18-13-8-10-14(11-9-13)21-17-15(16-19-21)12-6-4-3-5-7-12/h3-7,13-14,18H,8-11H2,1-2H3.
What are the key properties of 2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole?
2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole has a molecular weight of 350.45 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoylamino)cyclohexyl]-5-phenyltetrazole is sourced from PubChem (CID 175641941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).