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

C12H23N5OS — CID 114624130

IUPACN-methyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine
SMILESCNCCn1nnnc1SC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H23N5OS/c1-11(2)8-9(12(3,4)18-11)19-10-14-15-16-17(10)7-6-13-5/h9,13H,6-8H2,1-5H3
InChIKeyGMMMQRJQWQRRSG-UHFFFAOYSA-N
MW285.42 g/mol
LogP1.33
Rot. Bonds5

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

N-methyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine (PubChem CID 114624130) has the molecular formula C12H23N5OS and a molecular weight of 285.42 g/mol. Its IUPAC name is N-methyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine
PubChem CID114624130
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC NameN-methyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine
SMILESCNCCn1nnnc1SC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H23N5OS/c1-11(2)8-9(12(3,4)18-11)19-10-14-15-16-17(10)7-6-13-5/h9,13H,6-8H2,1-5H3
InChIKeyGMMMQRJQWQRRSG-UHFFFAOYSA-N
XLogP1.33
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine
CID 114624131
2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine
CID 82923934
2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine
CID 116524165
2-(5-but-2-enylsulfanyltetrazol-1-yl)-N-methylethanamine
CID 77104131
N-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 103015642
2-[5-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)tetrazol-1-yl]-N-methylethanamine
CID 79226936
4-methyl-5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyl-1,3-thiazol-2-amine
CID 114621515
2-[5-[(5-fluoro-2-methylphenyl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine
CID 105375397
N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103140436
2-(5-cycloheptylsulfanyltetrazol-1-yl)ethanol
CID 82924457
N-[2-[5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103184266
N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 114268875

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine (CID 114624130) is N-methyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine is CNCCn1nnnc1SC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-methyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine?
The InChIKey is GMMMQRJQWQRRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-11(2)8-9(12(3,4)18-11)19-10-14-15-16-17(10)7-6-13-5/h9,13H,6-8H2,1-5H3.
What are the key properties of N-methyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine?
N-methyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine has a molecular weight of 285.42 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine is sourced from PubChem (CID 114624130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).