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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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide
CID 175641641
2-(1,2-benzoxazol-3-yl)-N-[4-(5-phenyltetrazol-2-yl)cyclohexyl]acetamide
CID 175643451
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole
CID 59718933
N-[2-methyl-3-(5-phenyltetrazol-2-yl)propyl]cyclopropanamine
CID 62447155
1-(dimethylsulfamoylamino)-4-oxocyclohexane
CID 43653005
4-[cyclopropylsulfamoyl(methyl)amino]benzenecarbothioamide
CID 114808343
2-(5-phenyltetrazol-2-yl)cycloheptane-1-carbonitrile
CID 43292087
1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole
CID 59743387
[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
CID 79118112
4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane
CID 70787701
cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678868

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).