N-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

C12H20N6O2S — CID 27139236

IUPACN-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C12H20N6O2S/c1-8(2)18-12(15-16-17-18)21-7-10(19)14-11(20)13-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H2,13,14,19,20)
InChIKeySQOOQCNMYJSPBW-UHFFFAOYSA-N
MW312.40 g/mol
LogP1.11
Rot. Bonds5

About N-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

N-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 27139236) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
PubChem CID27139236
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC NameN-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C12H20N6O2S/c1-8(2)18-12(15-16-17-18)21-7-10(19)14-11(20)13-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H2,13,14,19,20)
InChIKeySQOOQCNMYJSPBW-UHFFFAOYSA-N
XLogP1.11
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
CID 4845048
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
CID 7845143
N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529241
N-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 24667835
N-cyclopentyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1452223
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
CID 7845385
N-(cyclopropylcarbamoyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8916842
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide
CID 27045923
N-(cyclohexylcarbamoyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17439419
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
N-(cyclopentylcarbamoyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 40682756
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (CID 27139236) is N-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is CC(C)n1nnnc1SCC(=O)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is SQOOQCNMYJSPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c1-8(2)18-12(15-16-17-18)21-7-10(19)14-11(20)13-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H2,13,14,19,20).
What are the key properties of N-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
N-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 312.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 27139236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).