2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide

C13H23N7OS — CID 52973004

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide
SMILESCC1NNC(C)C1NC(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C13H23N7OS/c1-8-12(9(2)16-15-8)14-11(21)7-22-13-17-18-19-20(13)10-5-3-4-6-10/h8-10,12,15-16H,3-7H2,1-2H3,(H,14,21)
InChIKeyGLJHAVWIZXQTOB-UHFFFAOYSA-N
MW325.44 g/mol
LogP0.25
Rot. Bonds5

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide (PubChem CID 52973004) has the molecular formula C13H23N7OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide
PubChem CID52973004
Molecular FormulaC13H23N7OS
Molecular Weight325.44 g/mol
Exact Mass325.17
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide
SMILESCC1NNC(C)C1NC(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C13H23N7OS/c1-8-12(9(2)16-15-8)14-11(21)7-22-13-17-18-19-20(13)10-5-3-4-6-10/h8-10,12,15-16H,3-7H2,1-2H3,(H,14,21)
InChIKeyGLJHAVWIZXQTOB-UHFFFAOYSA-N
XLogP0.25
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79629924
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 51258532
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40702766
N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 79194698
propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate
CID 47124350
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62516881
N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 27094172
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 55953871

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide (CID 52973004) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide is CC1NNC(C)C1NC(=O)CSc1nnnn1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide?
The InChIKey is GLJHAVWIZXQTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7OS/c1-8-12(9(2)16-15-8)14-11(21)7-22-13-17-18-19-20(13)10-5-3-4-6-10/h8-10,12,15-16H,3-7H2,1-2H3,(H,14,21).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide has a molecular weight of 325.44 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide is sourced from PubChem (CID 52973004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).