N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine

C10H21N5O2S2 — CID 106731830

IUPACN-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
SMILESCCNCCn1nnnc1SCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H21N5O2S2/c1-4-11-5-6-15-10(12-13-14-15)18-7-8-19(16,17)9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyGAQVPLCXBVXTHH-UHFFFAOYSA-N
MW307.45 g/mol
LogP0.20
Rot. Bonds9

About N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine

N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine (PubChem CID 106731830) has the molecular formula C10H21N5O2S2 and a molecular weight of 307.45 g/mol. Its IUPAC name is N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
PubChem CID106731830
Molecular FormulaC10H21N5O2S2
Molecular Weight307.45 g/mol
Exact Mass307.11
IUPAC NameN-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
SMILESCCNCCn1nnnc1SCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H21N5O2S2/c1-4-11-5-6-15-10(12-13-14-15)18-7-8-19(16,17)9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyGAQVPLCXBVXTHH-UHFFFAOYSA-N
XLogP0.20
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 106458184
N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine
CID 114476900
4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-amine
CID 106725597
N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine
CID 113382999
N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine
CID 114526814
N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 114268875
2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
CID 106725617
N-[2-[5-(3-methylsulfanylpropylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 113474390
[4-ethyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 106725606
N-ethyl-2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 104795003
N,N-di(propan-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide
CID 652193
N-[[1-(2-methylsulfonylethyl)tetrazol-5-yl]methyl]ethanamine
CID 62735379

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine (CID 106731830) is N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine is CCNCCn1nnnc1SCCS(=O)(=O)C(C)C.
What is the InChIKey of N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine?
The InChIKey is GAQVPLCXBVXTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O2S2/c1-4-11-5-6-15-10(12-13-14-15)18-7-8-19(16,17)9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine?
N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine has a molecular weight of 307.45 g/mol, XLogP of 0.20, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 106731830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).