N-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide

C13H19N5O2S2 — CID 30295825

IUPACN-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2nnnn2C2CCCC2)s1
InChIInChI=1S/C13H19N5O2S2/c1-2-11-7-8-13(21-11)22(19,20)14-9-12-15-16-17-18(12)10-5-3-4-6-10/h7-8,10,14H,2-6,9H2,1H3
InChIKeyPFOLBBWRTFJDIO-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.89
Rot. Bonds6

About N-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide

N-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 30295825) has the molecular formula C13H19N5O2S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide
PubChem CID30295825
Molecular FormulaC13H19N5O2S2
Molecular Weight341.46 g/mol
Exact Mass341.10
IUPAC NameN-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2nnnn2C2CCCC2)s1
InChIInChI=1S/C13H19N5O2S2/c1-2-11-7-8-13(21-11)22(19,20)14-9-12-15-16-17-18(12)10-5-3-4-6-10/h7-8,10,14H,2-6,9H2,1H3
InChIKeyPFOLBBWRTFJDIO-UHFFFAOYSA-N
XLogP1.89
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide (CID 30295825) is N-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2nnnn2C2CCCC2)s1.
What is the InChIKey of N-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is PFOLBBWRTFJDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S2/c1-2-11-7-8-13(21-11)22(19,20)14-9-12-15-16-17-18(12)10-5-3-4-6-10/h7-8,10,14H,2-6,9H2,1H3.
What are the key properties of N-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide?
N-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 341.46 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 30295825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).