N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C15H21N7O2S — CID 121120406

IUPACN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NCCn1cnc(C2CCCC2)cc1=O
InChIInChI=1S/C15H21N7O2S/c1-21-15(18-19-20-21)25-9-13(23)16-6-7-22-10-17-12(8-14(22)24)11-4-2-3-5-11/h8,10-11H,2-7,9H2,1H3,(H,16,23)
InChIKeyGAIMMCSQYOBZMF-UHFFFAOYSA-N
MW363.45 g/mol
LogP0.33
Rot. Bonds7

About N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 121120406) has the molecular formula C15H21N7O2S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID121120406
Molecular FormulaC15H21N7O2S
Molecular Weight363.45 g/mol
Exact Mass363.15
IUPAC NameN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NCCn1cnc(C2CCCC2)cc1=O
InChIInChI=1S/C15H21N7O2S/c1-21-15(18-19-20-21)25-9-13(23)16-6-7-22-10-17-12(8-14(22)24)11-4-2-3-5-11/h8,10-11H,2-7,9H2,1H3,(H,16,23)
InChIKeyGAIMMCSQYOBZMF-UHFFFAOYSA-N
XLogP0.33
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,5-dinitrobenzamide
CID 121120469
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 121120589
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 121120366
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121120373
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121120574
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121120412
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide
CID 121120020
N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 863319
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 119099474
3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121119964
1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115648631
N-[3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 650332

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 121120406) is N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)NCCn1cnc(C2CCCC2)cc1=O.
What is the InChIKey of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is GAIMMCSQYOBZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2S/c1-21-15(18-19-20-21)25-9-13(23)16-6-7-22-10-17-12(8-14(22)24)11-4-2-3-5-11/h8,10-11H,2-7,9H2,1H3,(H,16,23).
What are the key properties of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 363.45 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 121120406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).