N-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine

C13H25N5OS — CID 114624131

IUPACN-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine
SMILESCCNCCn1nnnc1SC1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H25N5OS/c1-6-14-7-8-18-11(15-16-17-18)20-10-9-12(2,3)19-13(10,4)5/h10,14H,6-9H2,1-5H3
InChIKeyLQPJKTFOIWQOLQ-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.72
Rot. Bonds6

About N-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine

N-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine (PubChem CID 114624131) has the molecular formula C13H25N5OS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine
PubChem CID114624131
Molecular FormulaC13H25N5OS
Molecular Weight299.44 g/mol
Exact Mass299.18
IUPAC NameN-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine
SMILESCCNCCn1nnnc1SC1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H25N5OS/c1-6-14-7-8-18-11(15-16-17-18)20-10-9-12(2,3)19-13(10,4)5/h10,14H,6-9H2,1-5H3
InChIKeyLQPJKTFOIWQOLQ-UHFFFAOYSA-N
XLogP1.72
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine
CID 114624130
N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine
CID 114476900
N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
CID 106731830
N-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 106458184
2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine
CID 82923934
2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine
CID 116524165
N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine
CID 113382999
N-ethyl-2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 104795003
4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine
CID 114621515
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-1-amine
CID 62576620
N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103140436
2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine
CID 103140437

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine (CID 114624131) is N-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine is CCNCCn1nnnc1SC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine?
The InChIKey is LQPJKTFOIWQOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5OS/c1-6-14-7-8-18-11(15-16-17-18)20-10-9-12(2,3)19-13(10,4)5/h10,14H,6-9H2,1-5H3.
What are the key properties of N-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine?
N-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine has a molecular weight of 299.44 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine is sourced from PubChem (CID 114624131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).