N-methyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]acetamide

C8H15N5OS — CID 12803385

IUPACN-methyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]acetamide
SMILESCC(=O)N(C)CCCSc1nnnn1C
InChIInChI=1S/C8H15N5OS/c1-7(14)12(2)5-4-6-15-8-9-10-11-13(8)3/h4-6H2,1-3H3
InChIKeyVLJNNRLVKRRVTI-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.17
Rot. Bonds5

About N-methyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]acetamide

N-methyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]acetamide (PubChem CID 12803385) has the molecular formula C8H15N5OS and a molecular weight of 229.31 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]acetamide
PubChem CID12803385
Molecular FormulaC8H15N5OS
Molecular Weight229.31 g/mol
Exact Mass229.10
IUPAC NameN-methyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]acetamide
SMILESCC(=O)N(C)CCCSc1nnnn1C
InChIInChI=1S/C8H15N5OS/c1-7(14)12(2)5-4-6-15-8-9-10-11-13(8)3/h4-6H2,1-3H3
InChIKeyVLJNNRLVKRRVTI-UHFFFAOYSA-N
XLogP0.17
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]acetamide?
The IUPAC name of N-methyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]acetamide (CID 12803385) is N-methyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]acetamide?
The canonical SMILES for N-methyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]acetamide is CC(=O)N(C)CCCSc1nnnn1C.
What is the InChIKey of N-methyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]acetamide?
The InChIKey is VLJNNRLVKRRVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5OS/c1-7(14)12(2)5-4-6-15-8-9-10-11-13(8)3/h4-6H2,1-3H3.
What are the key properties of N-methyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]acetamide?
N-methyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]acetamide has a molecular weight of 229.31 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]acetamide is sourced from PubChem (CID 12803385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).