5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide

C15H19N5OS2 — CID 95908828

IUPAC5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide
SMILESO=C(CCCC[C@@H]1CCSS1)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C15H19N5OS2/c21-14(7-2-1-6-13-8-9-22-23-13)16-12-5-3-4-11(10-12)15-17-19-20-18-15/h3-5,10,13H,1-2,6-9H2,(H,16,21)(H,17,18,19,20)/t13-/m1/s1
InChIKeyJZXXCHIKHIGZSF-CYBMUJFWSA-N
MW349.49 g/mol
LogP3.52
Rot. Bonds7

About 5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide

5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide (PubChem CID 95908828) has the molecular formula C15H19N5OS2 and a molecular weight of 349.49 g/mol. Its IUPAC name is 5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide
PubChem CID95908828
Molecular FormulaC15H19N5OS2
Molecular Weight349.49 g/mol
Exact Mass349.10
IUPAC Name5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide
SMILESO=C(CCCC[C@@H]1CCSS1)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C15H19N5OS2/c21-14(7-2-1-6-13-8-9-22-23-13)16-12-5-3-4-11(10-12)15-17-19-20-18-15/h3-5,10,13H,1-2,6-9H2,(H,16,21)(H,17,18,19,20)/t13-/m1/s1
InChIKeyJZXXCHIKHIGZSF-CYBMUJFWSA-N
XLogP3.52
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

N-[3-[5-(dithiolan-3-yl)pentanoylamino]phenyl]benzamide
CID 60517095
4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 60842609
5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide
CID 166403475
N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958210
5-(dithiolan-3-yl)-N-(4-oxo-3H-quinazolin-6-yl)pentanamide
CID 135639539
3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165
2-(1-hydroxycyclopentyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 111536432
N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422837
3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 60852912
5-[(3R)-dithiolan-3-yl]-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
CID 97045630
N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide
CID 167884555
N-(3-acetamido-4-fluorophenyl)-5-(dithiolan-3-yl)pentanamide
CID 55546012

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide?
The IUPAC name of 5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide (CID 95908828) is 5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide.
What is the SMILES notation for 5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide?
The canonical SMILES for 5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide is O=C(CCCC[C@@H]1CCSS1)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide?
The InChIKey is JZXXCHIKHIGZSF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N5OS2/c21-14(7-2-1-6-13-8-9-22-23-13)16-12-5-3-4-11(10-12)15-17-19-20-18-15/h3-5,10,13H,1-2,6-9H2,(H,16,21)(H,17,18,19,20)/t13-/m1/s1.
What are the key properties of 5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide?
5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide has a molecular weight of 349.49 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide is sourced from PubChem (CID 95908828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).