2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine

C9H19N5OS — CID 103033995

IUPAC2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine
SMILESCOC(C)(C)CCSc1nnnn1CCN
InChIInChI=1S/C9H19N5OS/c1-9(2,15-3)4-7-16-8-11-12-13-14(8)6-5-10/h4-7,10H2,1-3H3
InChIKeyIYXHTFCJLYTKNI-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.54
Rot. Bonds7

About 2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine

2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine (PubChem CID 103033995) has the molecular formula C9H19N5OS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine
PubChem CID103033995
Molecular FormulaC9H19N5OS
Molecular Weight245.35 g/mol
Exact Mass245.13
IUPAC Name2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine
SMILESCOC(C)(C)CCSc1nnnn1CCN
InChIInChI=1S/C9H19N5OS/c1-9(2,15-3)4-7-16-8-11-12-13-14(8)6-5-10/h4-7,10H2,1-3H3
InChIKeyIYXHTFCJLYTKNI-UHFFFAOYSA-N
XLogP0.54
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(2-tert-butylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
CID 106725617
2-[5-[2-(2-methylpropoxy)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 106453358
2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
CID 146534466
2-[5-(4,4,4-trifluorobutylsulfanyl)tetrazol-1-yl]ethanol
CID 115518634
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-[5-[(4-chloro-3-fluorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 114012355
3-fluoro-4-(3-methoxy-3-methylbutyl)sulfanylaniline
CID 103033986
2-methyl-N-[2-(5-pent-3-ynylsulfanyltetrazol-1-yl)ethyl]propan-2-amine
CID 113455919
2-methyl-N-[2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 114476906
6-[1-[2-(tert-butylamino)ethyl]tetrazol-5-yl]sulfanylhexan-1-ol
CID 107707232
4-(3-methoxy-3-methylbutyl)sulfanylaniline
CID 103033979

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine (CID 103033995) is 2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine is COC(C)(C)CCSc1nnnn1CCN.
What is the InChIKey of 2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine?
The InChIKey is IYXHTFCJLYTKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5OS/c1-9(2,15-3)4-7-16-8-11-12-13-14(8)6-5-10/h4-7,10H2,1-3H3.
What are the key properties of 2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine?
2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine has a molecular weight of 245.35 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxy-3-methylbutyl)sulfanyltetrazol-1-yl]ethanamine is sourced from PubChem (CID 103033995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).