2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide

C10H17N5O2S — CID 24518520

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H17N5O2S/c1-17-6-2-5-11-9(16)7-18-10-12-13-14-15(10)8-3-4-8/h8H,2-7H2,1H3,(H,11,16)
InChIKeyICJJWVUYYPLRIJ-UHFFFAOYSA-N
MW271.35 g/mol
LogP0.25
Rot. Bonds8

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide (PubChem CID 24518520) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide
PubChem CID24518520
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H17N5O2S/c1-17-6-2-5-11-9(16)7-18-10-12-13-14-15(10)8-3-4-8/h8H,2-7H2,1H3,(H,11,16)
InChIKeyICJJWVUYYPLRIJ-UHFFFAOYSA-N
XLogP0.25
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 50.25
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide (CID 24518520) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide?
The InChIKey is ICJJWVUYYPLRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-17-6-2-5-11-9(16)7-18-10-12-13-14-15(10)8-3-4-8/h8H,2-7H2,1H3,(H,11,16).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide has a molecular weight of 271.35 g/mol, XLogP of 0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 24518520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).