2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one

C12H12N4OS — CID 4825695

IUPAC2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one
SMILESO=C1CCCC1Sc1nnnn1-c1ccccc1
InChIInChI=1S/C12H12N4OS/c17-10-7-4-8-11(10)18-12-13-14-15-16(12)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2
InChIKeyNUYRVTVLSHSPNA-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.88
Rot. Bonds3

About 2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one

2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one (PubChem CID 4825695) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one
PubChem CID4825695
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one
SMILESO=C1CCCC1Sc1nnnn1-c1ccccc1
InChIInChI=1S/C12H12N4OS/c17-10-7-4-8-11(10)18-12-13-14-15-16(12)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2
InChIKeyNUYRVTVLSHSPNA-UHFFFAOYSA-N
XLogP1.88
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one
CID 2678514
(3S)-1-benzoyl-3-(1-phenyltetrazol-5-yl)sulfanylazepan-2-one
CID 2312396
(3S)-1-(oxan-4-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidin-2-one
CID 124743886
1-phenyl-5-[[(1S,2R,5R,6S)-6-(1-phenyltetrazol-5-yl)sulfanyl-9-thiabicyclo[3.3.1]nonan-2-yl]sulfanyl]tetrazole
CID 100890204
(2R)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]cycloheptan-1-one
CID 36510129
2-(1-phenyltetrazol-5-yl)sulfanylcyclobutane-1-carboxylic acid
CID 80996667
(2R)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one
CID 25412020
(2S)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one
CID 25412024
4-[5-[[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]sulfanyl]tetrazol-1-yl]benzoic acid
CID 51601928
(3R)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 29137109
[2-(1-phenyltetrazol-5-yl)sulfanylcyclopentyl]methanamine
CID 43530629
3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 42651827

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one (CID 4825695) is 2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one is O=C1CCCC1Sc1nnnn1-c1ccccc1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one?
The InChIKey is NUYRVTVLSHSPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c17-10-7-4-8-11(10)18-12-13-14-15-16(12)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2.
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one?
2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one has a molecular weight of 260.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one is sourced from PubChem (CID 4825695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).