2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine

C9H19N5OS — CID 106453358

IUPAC2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
SMILESCC(C)COCCSc1nnnn1CCN
InChIInChI=1S/C9H19N5OS/c1-8(2)7-15-5-6-16-9-11-12-13-14(9)4-3-10/h8H,3-7,10H2,1-2H3
InChIKeyBGFVEVRTWWAXBB-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.40
Rot. Bonds8

About 2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine

2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine (PubChem CID 106453358) has the molecular formula C9H19N5OS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
PubChem CID106453358
Molecular FormulaC9H19N5OS
Molecular Weight245.35 g/mol
Exact Mass245.13
IUPAC Name2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
SMILESCC(C)COCCSc1nnnn1CCN
InChIInChI=1S/C9H19N5OS/c1-8(2)7-15-5-6-16-9-11-12-13-14(9)4-3-10/h8H,3-7,10H2,1-2H3
InChIKeyBGFVEVRTWWAXBB-UHFFFAOYSA-N
XLogP0.40
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.40
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-ethyl-2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 106458184
2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine
CID 103033995
2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
CID 106725617
1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole
CID 103184249
1-butoxy-3-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylpropan-2-ol
CID 107264437
N-ethyl-1-[1-[2-(2-methylpropoxy)ethyl]tetrazol-5-yl]ethanamine
CID 103087047
N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103184266
2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
CID 146534466
5-[2-(2-aminoethoxy)ethylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 103482696
4-methyl-5-[2-(3-methylbutoxy)ethylsulfanyl]-1,2,4-triazol-3-amine
CID 61484675
1-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993084
methyl 2-[5-(2-propoxyethylsulfanyl)tetrazol-1-yl]acetate
CID 106449589

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine (CID 106453358) is 2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine is CC(C)COCCSc1nnnn1CCN.
What is the InChIKey of 2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine?
The InChIKey is BGFVEVRTWWAXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5OS/c1-8(2)7-15-5-6-16-9-11-12-13-14(9)4-3-10/h8H,3-7,10H2,1-2H3.
What are the key properties of 2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine?
2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine has a molecular weight of 245.35 g/mol, XLogP of 0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine is sourced from PubChem (CID 106453358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).