(2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one

C12H11ClN4OS — CID 2678514

IUPAC(2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one
SMILESO=C1CCC[C@@H]1Sc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN4OS/c13-8-4-6-9(7-5-8)17-12(14-15-16-17)19-11-3-1-2-10(11)18/h4-7,11H,1-3H2/t11-/m0/s1
InChIKeyJDICRNQWDOTHSN-NSHDSACASA-N
MW294.77 g/mol
LogP2.53
Rot. Bonds3

About (2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one

(2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one (PubChem CID 2678514) has the molecular formula C12H11ClN4OS and a molecular weight of 294.77 g/mol. Its IUPAC name is (2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one
PubChem CID2678514
Molecular FormulaC12H11ClN4OS
Molecular Weight294.77 g/mol
Exact Mass294.03
IUPAC Name(2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one
SMILESO=C1CCC[C@@H]1Sc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN4OS/c13-8-4-6-9(7-5-8)17-12(14-15-16-17)19-11-3-1-2-10(11)18/h4-7,11H,1-3H2/t11-/m0/s1
InChIKeyJDICRNQWDOTHSN-NSHDSACASA-N
XLogP2.53
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one
CID 4825695
3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 42651827
(2R)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 39340751
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one
CID 4883261
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 2610511
(2R)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 7455254
(2R)-2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one
CID 2096755
(3R)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 29137109
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylazepan-2-one
CID 122137219
3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyloxolan-2-one
CID 3491678
1-(azepan-1-yl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
CID 3996030
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone
CID 817369

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one?
The IUPAC name of (2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one (CID 2678514) is (2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one.
What is the SMILES notation for (2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one?
The canonical SMILES for (2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one is O=C1CCC[C@@H]1Sc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one?
The InChIKey is JDICRNQWDOTHSN-NSHDSACASA-N. The full InChI is InChI=1S/C12H11ClN4OS/c13-8-4-6-9(7-5-8)17-12(14-15-16-17)19-11-3-1-2-10(11)18/h4-7,11H,1-3H2/t11-/m0/s1.
What are the key properties of (2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one?
(2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one has a molecular weight of 294.77 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one is sourced from PubChem (CID 2678514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).