2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide

C11H12N6OS — CID 31821740

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
SMILESO=C(CSc1nnnn1C1CC1)Nc1ccccn1
InChIInChI=1S/C11H12N6OS/c18-10(13-9-3-1-2-6-12-9)7-19-11-14-15-16-17(11)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,12,13,18)
InChIKeyWOGSMMZOWSONEI-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.13
Rot. Bonds5

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide (PubChem CID 31821740) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
PubChem CID31821740
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
SMILESO=C(CSc1nnnn1C1CC1)Nc1ccccn1
InChIInChI=1S/C11H12N6OS/c18-10(13-9-3-1-2-6-12-9)7-19-11-14-15-16-17(11)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,12,13,18)
InChIKeyWOGSMMZOWSONEI-UHFFFAOYSA-N
XLogP1.13
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 35493846
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 9207134
2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 578136
N-(2-cyclohexylpyrazol-3-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 134037686
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 39695126
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(2-phenylethynyl)phenyl]acetamide
CID 134004627
N-(2-tert-butylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 37285708
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 31813598
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide
CID 60555012
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,1-diphenylpropan-2-yl)acetamide
CID 55632212
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26388936
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide (CID 31821740) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide is O=C(CSc1nnnn1C1CC1)Nc1ccccn1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide?
The InChIKey is WOGSMMZOWSONEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c18-10(13-9-3-1-2-6-12-9)7-19-11-14-15-16-17(11)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,12,13,18).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide has a molecular weight of 276.32 g/mol, XLogP of 1.13, 5 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-pyridin-2-ylacetamide is sourced from PubChem (CID 31821740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).