N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide

C11H21N5O2S — CID 36795278

IUPACN-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOCCCNC(=O)CSc1nnnn1CC(C)C
InChIInChI=1S/C11H21N5O2S/c1-9(2)7-16-11(13-14-15-16)19-8-10(17)12-5-4-6-18-3/h9H,4-8H2,1-3H3,(H,12,17)
InChIKeyDUSWPLDGGLFDGT-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.57
Rot. Bonds9

About N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide

N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 36795278) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID36795278
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOCCCNC(=O)CSc1nnnn1CC(C)C
InChIInChI=1S/C11H21N5O2S/c1-9(2)7-16-11(13-14-15-16)19-8-10(17)12-5-4-6-18-3/h9H,4-8H2,1-3H3,(H,12,17)
InChIKeyDUSWPLDGGLFDGT-UHFFFAOYSA-N
XLogP0.57
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.57
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-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36795172
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 51270218
2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxypropyl)acetamide
CID 37048628
N-(2-methoxy-5-methylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36794853
N-(2-cyano-3-methylbutan-2-yl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 46648587
propyl (2S)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanoate
CID 95636269
1-(2,2-dimethoxyethyl)-5-[2-(3-methoxypropoxy)ethylsulfanyl]tetrazole
CID 103184249
2-[[5-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 24574236
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 55462827
N-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 38132445
N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36795150
ethyl 5-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazole-2-carboxylate
CID 116699770

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide (CID 36795278) is N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide is COCCCNC(=O)CSc1nnnn1CC(C)C.
What is the InChIKey of N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is DUSWPLDGGLFDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-9(2)7-16-11(13-14-15-16)19-8-10(17)12-5-4-6-18-3/h9H,4-8H2,1-3H3,(H,12,17).
What are the key properties of N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 287.39 g/mol, XLogP of 0.57, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 36795278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).