N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine

C11H21N5OS — CID 103087012

IUPACN-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine
SMILESCOCCNC(C)c1nnnn1C1CCSCC1
InChIInChI=1S/C11H21N5OS/c1-9(12-5-6-17-2)11-13-14-15-16(11)10-3-7-18-8-4-10/h9-10,12H,3-8H2,1-2H3
InChIKeyCYIXHGDDSMNXLN-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.04
Rot. Bonds6

About N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine

N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine (PubChem CID 103087012) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine
PubChem CID103087012
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC NameN-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine
SMILESCOCCNC(C)c1nnnn1C1CCSCC1
InChIInChI=1S/C11H21N5OS/c1-9(12-5-6-17-2)11-13-14-15-16(11)10-3-7-18-8-4-10/h9-10,12H,3-8H2,1-2H3
InChIKeyCYIXHGDDSMNXLN-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
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-(2-methoxyethyl)-1-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]ethanamine
CID 103086509
1-[1-(1,1-dioxothian-3-yl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103086214
1-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085603
1-(1-ethyltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085409
N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085850
N-ethyl-1-[1-(oxan-4-yl)tetrazol-5-yl]ethanamine
CID 103085524
N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086859
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
CID 62577032
1-(1-cyclopentyltetrazol-5-yl)-N-methylethanamine
CID 103085419
N-ethyl-1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethanamine
CID 103086857
2-methyl-N-[1-[1-(1-oxothian-4-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086907
N-[1-[1-(3-methylsulfanylcyclopentyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 114122719

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine (CID 103087012) is N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine is COCCNC(C)c1nnnn1C1CCSCC1.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine?
The InChIKey is CYIXHGDDSMNXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-9(12-5-6-17-2)11-13-14-15-16(11)10-3-7-18-8-4-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine?
N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine has a molecular weight of 271.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-(thian-4-yl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103087012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).