N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine

C10H19N5S — CID 114476900

IUPACN-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine
SMILESC=C(C)CCSc1nnnn1CCNCC
InChIInChI=1S/C10H19N5S/c1-4-11-6-7-15-10(12-13-14-15)16-8-5-9(2)3/h11H,2,4-8H2,1,3H3
InChIKeyMROJSIQDAOJDSY-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.34
Rot. Bonds8

About N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine

N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine (PubChem CID 114476900) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine
PubChem CID114476900
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC NameN-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine
SMILESC=C(C)CCSc1nnnn1CCNCC
InChIInChI=1S/C10H19N5S/c1-4-11-6-7-15-10(12-13-14-15)16-8-5-9(2)3/h11H,2,4-8H2,1,3H3
InChIKeyMROJSIQDAOJDSY-UHFFFAOYSA-N
XLogP1.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 114476906
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
N-ethyl-2-[5-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 104795003
6-[1-[2-(tert-butylamino)ethyl]tetrazol-5-yl]sulfanylhexan-1-ol
CID 107707232
N-(2-methoxyethyl)-2-[5-(2-methoxypropylsulfanyl)tetrazol-1-yl]ethanamine
CID 113382999
N-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine
CID 114624131
N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine
CID 114526814
2-(5-but-2-enylsulfanyltetrazol-1-yl)-N-methylethanamine
CID 77104131
2-methyl-N-[2-(5-pent-3-ynylsulfanyltetrazol-1-yl)ethyl]propan-2-amine
CID 113455919
N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 114268875
4-(1-methyltetrazol-5-yl)sulfanylbutan-2-one
CID 3613438

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine (CID 114476900) is N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine is C=C(C)CCSc1nnnn1CCNCC.
What is the InChIKey of N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine?
The InChIKey is MROJSIQDAOJDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-4-11-6-7-15-10(12-13-14-15)16-8-5-9(2)3/h11H,2,4-8H2,1,3H3.
What are the key properties of N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine?
N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine has a molecular weight of 241.36 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 114476900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).