2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine

C9H19N5O2S2 — CID 106725617

IUPAC2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
SMILESCC(C)(C)S(=O)(=O)CCSc1nnnn1CCN
InChIInChI=1S/C9H19N5O2S2/c1-9(2,3)18(15,16)7-6-17-8-11-12-13-14(8)5-4-10/h4-7,10H2,1-3H3
InChIKeyVIXQRKNZHQGXES-UHFFFAOYSA-N
MW293.42 g/mol
LogP-0.06
Rot. Bonds6

About 2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine

2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine (PubChem CID 106725617) has the molecular formula C9H19N5O2S2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
PubChem CID106725617
Molecular FormulaC9H19N5O2S2
Molecular Weight293.42 g/mol
Exact Mass293.10
IUPAC Name2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
SMILESCC(C)(C)S(=O)(=O)CCSc1nnnn1CCN
InChIInChI=1S/C9H19N5O2S2/c1-9(2,3)18(15,16)7-6-17-8-11-12-13-14(8)5-4-10/h4-7,10H2,1-3H3
InChIKeyVIXQRKNZHQGXES-UHFFFAOYSA-N
XLogP-0.06
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine
CID 103033995
2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 106453358
N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
CID 106731830
2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
CID 146534466
1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole
CID 47124187
1-(2-tert-butylsulfonylethyl)-5-methyltriazol-4-amine
CID 106735028
2-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 113454341
2-[5-[(2,3-dichlorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 107306669
2-(2-tert-butylsulfonylethylsulfanyl)-1-propan-2-ylpyrimidin-4-one
CID 96522466
2-[5-[(4-chloro-3-fluorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 114012355
1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole
CID 47096811
2-methyl-N-[2-(5-pent-3-ynylsulfanyltetrazol-1-yl)ethyl]propan-2-amine
CID 113455919

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine (CID 106725617) is 2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine is CC(C)(C)S(=O)(=O)CCSc1nnnn1CCN.
What is the InChIKey of 2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine?
The InChIKey is VIXQRKNZHQGXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2S2/c1-9(2,3)18(15,16)7-6-17-8-11-12-13-14(8)5-4-10/h4-7,10H2,1-3H3.
What are the key properties of 2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine?
2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine has a molecular weight of 293.42 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 106725617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).