1-cyclopropyl-5-[1-(1-phenylpropylsulfonyl)ethyl]tetrazole

C15H20N4O2S — CID 86819441

IUPAC1-cyclopropyl-5-[1-(1-phenylpropylsulfonyl)ethyl]tetrazole
SMILESCCC(c1ccccc1)S(=O)(=O)C(C)c1nnnn1C1CC1
InChIInChI=1S/C15H20N4O2S/c1-3-14(12-7-5-4-6-8-12)22(20,21)11(2)15-16-17-18-19(15)13-9-10-13/h4-8,11,13-14H,3,9-10H2,1-2H3
InChIKeyDKLRRBSHXIQVAT-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.64
Rot. Bonds6

About 1-cyclopropyl-5-[1-(1-phenylpropylsulfonyl)ethyl]tetrazole

1-cyclopropyl-5-[1-(1-phenylpropylsulfonyl)ethyl]tetrazole (PubChem CID 86819441) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-cyclopropyl-5-[1-(1-phenylpropylsulfonyl)ethyl]tetrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[1-(1-phenylpropylsulfonyl)ethyl]tetrazole
PubChem CID86819441
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-cyclopropyl-5-[1-(1-phenylpropylsulfonyl)ethyl]tetrazole
SMILESCCC(c1ccccc1)S(=O)(=O)C(C)c1nnnn1C1CC1
InChIInChI=1S/C15H20N4O2S/c1-3-14(12-7-5-4-6-8-12)22(20,21)11(2)15-16-17-18-19(15)13-9-10-13/h4-8,11,13-14H,3,9-10H2,1-2H3
InChIKeyDKLRRBSHXIQVAT-UHFFFAOYSA-N
XLogP2.64
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[1-(1-phenylpropylsulfonyl)ethyl]tetrazole?
The IUPAC name of 1-cyclopropyl-5-[1-(1-phenylpropylsulfonyl)ethyl]tetrazole (CID 86819441) is 1-cyclopropyl-5-[1-(1-phenylpropylsulfonyl)ethyl]tetrazole.
What is the SMILES notation for 1-cyclopropyl-5-[1-(1-phenylpropylsulfonyl)ethyl]tetrazole?
The canonical SMILES for 1-cyclopropyl-5-[1-(1-phenylpropylsulfonyl)ethyl]tetrazole is CCC(c1ccccc1)S(=O)(=O)C(C)c1nnnn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-[1-(1-phenylpropylsulfonyl)ethyl]tetrazole?
The InChIKey is DKLRRBSHXIQVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-14(12-7-5-4-6-8-12)22(20,21)11(2)15-16-17-18-19(15)13-9-10-13/h4-8,11,13-14H,3,9-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-5-[1-(1-phenylpropylsulfonyl)ethyl]tetrazole?
1-cyclopropyl-5-[1-(1-phenylpropylsulfonyl)ethyl]tetrazole has a molecular weight of 320.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[1-(1-phenylpropylsulfonyl)ethyl]tetrazole is sourced from PubChem (CID 86819441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).