N-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

C15H26N4O2S — CID 78759545

IUPACN-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCOCCCn1cnnc1SC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C15H26N4O2S/c1-12(14(20)17-13-7-4-3-5-8-13)22-15-18-16-11-19(15)9-6-10-21-2/h11-13H,3-10H2,1-2H3,(H,17,20)
InChIKeyOKFYPIYHRINUNG-UHFFFAOYSA-N
MW326.47 g/mol
LogP2.24
Rot. Bonds8

About N-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

N-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (PubChem CID 78759545) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
PubChem CID78759545
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCOCCCn1cnnc1SC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C15H26N4O2S/c1-12(14(20)17-13-7-4-3-5-8-13)22-15-18-16-11-19(15)9-6-10-21-2/h11-13H,3-10H2,1-2H3,(H,17,20)
InChIKeyOKFYPIYHRINUNG-UHFFFAOYSA-N
XLogP2.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The IUPAC name of N-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (CID 78759545) is N-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide is COCCCn1cnnc1SC(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The InChIKey is OKFYPIYHRINUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-12(14(20)17-13-7-4-3-5-8-13)22-15-18-16-11-19(15)9-6-10-21-2/h11-13H,3-10H2,1-2H3,(H,17,20).
What are the key properties of N-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
N-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide has a molecular weight of 326.47 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 78759545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).