2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine

C11H21N5OS — CID 116524165

IUPAC2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine
SMILESCNCCn1nnnc1SCC1CCC(C)(C)O1
InChIInChI=1S/C11H21N5OS/c1-11(2)5-4-9(17-11)8-18-10-13-14-15-16(10)7-6-12-3/h9,12H,4-8H2,1-3H3
InChIKeyKZHDKWPFXMVDNF-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.94
Rot. Bonds6

About 2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine

2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine (PubChem CID 116524165) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine
PubChem CID116524165
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC Name2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine
SMILESCNCCn1nnnc1SCC1CCC(C)(C)O1
InChIInChI=1S/C11H21N5OS/c1-11(2)5-4-9(17-11)8-18-10-13-14-15-16(10)7-6-12-3/h9,12H,4-8H2,1-3H3
InChIKeyKZHDKWPFXMVDNF-UHFFFAOYSA-N
XLogP0.94
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-[5-(2,2,5,5-tetramethyloxolan-3-yl)sulfanyltetrazol-1-yl]ethanamine
CID 114624130
N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103140436
2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine
CID 82923934
2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine
CID 103140437
2-(5-but-2-enylsulfanyltetrazol-1-yl)-N-methylethanamine
CID 77104131
2-[5-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)tetrazol-1-yl]-N-methylethanamine
CID 79226936
[2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 116522844
N-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 103015642
2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine
CID 79172516
4-benzyl-3-[[(2S)-5,5-dimethyloxolan-2-yl]methylsulfanyl]-5-methyl-1,2,4-triazole
CID 124743751
2-[5-[(5-fluoro-2-methylphenyl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine
CID 105375397
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine
CID 116523471

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine?
The IUPAC name of 2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine (CID 116524165) is 2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine is CNCCn1nnnc1SCC1CCC(C)(C)O1.
What is the InChIKey of 2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine?
The InChIKey is KZHDKWPFXMVDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-11(2)5-4-9(17-11)8-18-10-13-14-15-16(10)7-6-12-3/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine?
2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine has a molecular weight of 271.39 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine is sourced from PubChem (CID 116524165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).