N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine

C10H19N5OS — CID 104755175

IUPACN-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CSc1nnnn1C)C1CCOC1
InChIInChI=1S/C10H19N5OS/c1-3-11-9(8-4-5-16-6-8)7-17-10-12-13-14-15(10)2/h8-9,11H,3-7H2,1-2H3
InChIKeyCKENDJNWULTSRP-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.32
Rot. Bonds6

About N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine

N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104755175) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
PubChem CID104755175
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC NameN-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CSc1nnnn1C)C1CCOC1
InChIInChI=1S/C10H19N5OS/c1-3-11-9(8-4-5-16-6-8)7-17-10-12-13-14-15(10)2/h8-9,11H,3-7H2,1-2H3
InChIKeyCKENDJNWULTSRP-UHFFFAOYSA-N
XLogP0.32
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 104755169
N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine
CID 104756053
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104755328
N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
CID 65143618
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66070583
2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104755861
N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyloxan-4-amine
CID 64620213
2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 113449540
N-ethyl-2-(2-nitrophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755044
N,N',N'-triethyl-1-(oxolan-3-yl)propane-1,3-diamine
CID 79087913
2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide
CID 114234985
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine (CID 104755175) is N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine is CCNC(CSc1nnnn1C)C1CCOC1.
What is the InChIKey of N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is CKENDJNWULTSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-3-11-9(8-4-5-16-6-8)7-17-10-12-13-14-15(10)2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 257.36 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104755175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).