2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide

C11H19N5O2S — CID 56756178

IUPAC2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide
SMILESCn1nnnc1SCCNC(=O)C1(C)CCCCO1
InChIInChI=1S/C11H19N5O2S/c1-11(5-3-4-7-18-11)9(17)12-6-8-19-10-13-14-15-16(10)2/h3-8H2,1-2H3,(H,12,17)
InChIKeyYZKXHWXHFPJYBH-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.38
Rot. Bonds5

About 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide

2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide (PubChem CID 56756178) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide
PubChem CID56756178
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide
SMILESCn1nnnc1SCCNC(=O)C1(C)CCCCO1
InChIInChI=1S/C11H19N5O2S/c1-11(5-3-4-7-18-11)9(17)12-6-8-19-10-13-14-15-16(10)2/h3-8H2,1-2H3,(H,12,17)
InChIKeyYZKXHWXHFPJYBH-UHFFFAOYSA-N
XLogP0.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
CID 45197507
4-(1-methyltetrazol-5-yl)sulfanylbutan-2-one
CID 3613438
cis-(1R,2S)-1-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-N-prop-2-enylcyclohexane-1,2-dicarboxamide
CID 133118239
(1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 155496366
N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4819467
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine
CID 61385651
6-(1-methyltetrazol-5-yl)sulfanylhexan-2-one
CID 43794005
2-[(4-fluorophenyl)methyl-methylamino]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide
CID 91789990
(3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide
CID 126451352
2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 77098009
1-amino-2-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 79586848
2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70752444

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide (CID 56756178) is 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide is Cn1nnnc1SCCNC(=O)C1(C)CCCCO1.
What is the InChIKey of 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide?
The InChIKey is YZKXHWXHFPJYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-11(5-3-4-7-18-11)9(17)12-6-8-19-10-13-14-15-16(10)2/h3-8H2,1-2H3,(H,12,17).
What are the key properties of 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide?
2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]oxane-2-carboxamide is sourced from PubChem (CID 56756178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).