N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C14H17N5O2S — CID 45494851

IUPACN-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESO=C(NCC1CCCO1)c1c(-n2cnnn2)sc2c1CCC2
InChIInChI=1S/C14H17N5O2S/c20-13(15-7-9-3-2-6-21-9)12-10-4-1-5-11(10)22-14(12)19-8-16-17-18-19/h8-9H,1-7H2,(H,15,20)
InChIKeyHOMUZHHFGDSZGH-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.12
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 45494851) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID45494851
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC NameN-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESO=C(NCC1CCCO1)c1c(-n2cnnn2)sc2c1CCC2
InChIInChI=1S/C14H17N5O2S/c20-13(15-7-9-3-2-6-21-9)12-10-4-1-5-11(10)22-14(12)19-8-16-17-18-19/h8-9H,1-7H2,(H,15,20)
InChIKeyHOMUZHHFGDSZGH-UHFFFAOYSA-N
XLogP1.12
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 45494851) is N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is O=C(NCC1CCCO1)c1c(-n2cnnn2)sc2c1CCC2.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is HOMUZHHFGDSZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c20-13(15-7-9-3-2-6-21-9)12-10-4-1-5-11(10)22-14(12)19-8-16-17-18-19/h8-9H,1-7H2,(H,15,20).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 45494851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).