5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide

C10H16N4OS2 — CID 30864279

IUPAC5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESO=C(CCCC[C@@H]1CCSS1)Nc1ncn[nH]1
InChIInChI=1S/C10H16N4OS2/c15-9(13-10-11-7-12-14-10)4-2-1-3-8-5-6-16-17-8/h7-8H,1-6H2,(H2,11,12,13,14,15)/t8-/m1/s1
InChIKeyIXVXTCKIXAZIEQ-MRVPVSSYSA-N
MW272.40 g/mol
LogP2.46
Rot. Bonds6

About 5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide

5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide (PubChem CID 30864279) has the molecular formula C10H16N4OS2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide.

Molecular Properties

Compound Name5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide
PubChem CID30864279
Molecular FormulaC10H16N4OS2
Molecular Weight272.40 g/mol
Exact Mass272.08
IUPAC Name5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESO=C(CCCC[C@@H]1CCSS1)Nc1ncn[nH]1
InChIInChI=1S/C10H16N4OS2/c15-9(13-10-11-7-12-14-10)4-2-1-3-8-5-6-16-17-8/h7-8H,1-6H2,(H2,11,12,13,14,15)/t8-/m1/s1
InChIKeyIXVXTCKIXAZIEQ-MRVPVSSYSA-N
XLogP2.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The IUPAC name of 5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide (CID 30864279) is 5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide.
What is the SMILES notation for 5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The canonical SMILES for 5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide is O=C(CCCC[C@@H]1CCSS1)Nc1ncn[nH]1.
What is the InChIKey of 5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The InChIKey is IXVXTCKIXAZIEQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N4OS2/c15-9(13-10-11-7-12-14-10)4-2-1-3-8-5-6-16-17-8/h7-8H,1-6H2,(H2,11,12,13,14,15)/t8-/m1/s1.
What are the key properties of 5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide?
5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide has a molecular weight of 272.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-dithiolan-3-yl]-N-(1H-1,2,4-triazol-5-yl)pentanamide is sourced from PubChem (CID 30864279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).