dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium

C11H16N5S+ — CID 4064141

IUPACdimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
SMILESC[NH+](C)CCSc1nnnn1-c1ccccc1
InChIInChI=1S/C11H15N5S/c1-15(2)8-9-17-11-12-13-14-16(11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/p+1
InChIKeyZGCRFGIVBLUDMA-UHFFFAOYSA-O
MW250.35 g/mol
LogP-0.10
Rot. Bonds5

About dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium

dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium (PubChem CID 4064141) has the molecular formula C11H16N5S+ and a molecular weight of 250.35 g/mol. Its IUPAC name is dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
PubChem CID4064141
Molecular FormulaC11H16N5S+
Molecular Weight250.35 g/mol
Exact Mass250.11
IUPAC Namedimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
SMILESC[NH+](C)CCSc1nnnn1-c1ccccc1
InChIInChI=1S/C11H15N5S/c1-15(2)8-9-17-11-12-13-14-16(11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/p+1
InChIKeyZGCRFGIVBLUDMA-UHFFFAOYSA-O
XLogP-0.10
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-heptylsulfanyl-1-phenyltetrazole
CID 141458526
1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole
CID 47095844
N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 18731478
3-methyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]butan-2-amine
CID 62577666
5-(1-phenyltetrazol-5-yl)sulfanylpentanenitrile
CID 60625385
4-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]aniline
CID 43519808
2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol
CID 60550847
2-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]aniline
CID 62495417
N',N'-dimethyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]ethane-1,2-diamine
CID 62578094
N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
CID 62577878
4-(1-phenyltetrazol-5-yl)sulfanyl-N-propylbutan-1-amine
CID 62579162
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium?
The IUPAC name of dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium (CID 4064141) is dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium.
What is the SMILES notation for dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium?
The canonical SMILES for dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium is C[NH+](C)CCSc1nnnn1-c1ccccc1.
What is the InChIKey of dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium?
The InChIKey is ZGCRFGIVBLUDMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15N5S/c1-15(2)8-9-17-11-12-13-14-16(11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/p+1.
What are the key properties of dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium?
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium has a molecular weight of 250.35 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium is sourced from PubChem (CID 4064141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).