1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole

C12H12FN5O2S — CID 80752567

IUPAC1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole
SMILESO=[N+]([O-])c1cc(F)cc(Sc2nnnn2C2CCCC2)c1
InChIInChI=1S/C12H12FN5O2S/c13-8-5-10(18(19)20)7-11(6-8)21-12-14-15-16-17(12)9-3-1-2-4-9/h5-7,9H,1-4H2
InChIKeyUVICYVDHVWXQKE-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.99
Rot. Bonds4

About 1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole

1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole (PubChem CID 80752567) has the molecular formula C12H12FN5O2S and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole.

Molecular Properties

Compound Name1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole
PubChem CID80752567
Molecular FormulaC12H12FN5O2S
Molecular Weight309.33 g/mol
Exact Mass309.07
IUPAC Name1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole
SMILESO=[N+]([O-])c1cc(F)cc(Sc2nnnn2C2CCCC2)c1
InChIInChI=1S/C12H12FN5O2S/c13-8-5-10(18(19)20)7-11(6-8)21-12-14-15-16-17(12)9-3-1-2-4-9/h5-7,9H,1-4H2
InChIKeyUVICYVDHVWXQKE-UHFFFAOYSA-N
XLogP2.99
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine
CID 80920032
5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-nitroaniline
CID 106752180
1-cyclopentyl-5-[(3-nitrophenyl)methylsulfanyl]tetrazole
CID 27093992
1-cyclohexyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazole
CID 1267474
1-cyclopropyl-5-(2-methylsulfonyl-4-nitrophenyl)sulfanyltetrazole
CID 122143772
1-cyclopropyl-5-(3-ethoxy-4-nitrophenyl)sulfanyltetrazole
CID 133426657
1-cyclohexyl-5-[(3,5-dinitrophenyl)methylselanyl]tetrazole
CID 90683071
5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline
CID 55132300
2-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylbenzoic acid
CID 107282642
2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanylbenzoic acid
CID 62944778
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine
CID 80883686
N'-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]-4-nitrobenzohydrazide
CID 46663645

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole?
The IUPAC name of 1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole (CID 80752567) is 1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole.
What is the SMILES notation for 1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole?
The canonical SMILES for 1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole is O=[N+]([O-])c1cc(F)cc(Sc2nnnn2C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole?
The InChIKey is UVICYVDHVWXQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O2S/c13-8-5-10(18(19)20)7-11(6-8)21-12-14-15-16-17(12)9-3-1-2-4-9/h5-7,9H,1-4H2.
What are the key properties of 1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole?
1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole has a molecular weight of 309.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole is sourced from PubChem (CID 80752567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).