N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C15H19N5OS — CID 2096816

IUPACN-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cccc(-n2nnnc2SCC(=O)NC2CCCC2)c1
InChIInChI=1S/C15H19N5OS/c1-11-5-4-8-13(9-11)20-15(17-18-19-20)22-10-14(21)16-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,16,21)
InChIKeySMDAIEPGMSQTEB-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.12
Rot. Bonds5

About N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2096816) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2096816
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cccc(-n2nnnc2SCC(=O)NC2CCCC2)c1
InChIInChI=1S/C15H19N5OS/c1-11-5-4-8-13(9-11)20-15(17-18-19-20)22-10-14(21)16-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,16,21)
InChIKeySMDAIEPGMSQTEB-UHFFFAOYSA-N
XLogP2.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 2096816) is N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1cccc(-n2nnnc2SCC(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is SMDAIEPGMSQTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11-5-4-8-13(9-11)20-15(17-18-19-20)22-10-14(21)16-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,16,21).
What are the key properties of N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 317.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2096816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).