1-[3-(dimethylamino)propyl]-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide

C14H24N6O2S — CID 108809966

IUPAC1-[3-(dimethylamino)propyl]-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCSc1n[nH]c(NC(=O)C2CC(=O)N(CCCN(C)C)C2)n1
InChIInChI=1S/C14H24N6O2S/c1-4-23-14-16-13(17-18-14)15-12(22)10-8-11(21)20(9-10)7-5-6-19(2)3/h10H,4-9H2,1-3H3,(H2,15,16,17,18,22)
InChIKeyOUSLAHHKCBCABB-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.66
Rot. Bonds8

About 1-[3-(dimethylamino)propyl]-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide

1-[3-(dimethylamino)propyl]-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108809966) has the molecular formula C14H24N6O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108809966
Molecular FormulaC14H24N6O2S
Molecular Weight340.45 g/mol
Exact Mass340.17
IUPAC Name1-[3-(dimethylamino)propyl]-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCSc1n[nH]c(NC(=O)C2CC(=O)N(CCCN(C)C)C2)n1
InChIInChI=1S/C14H24N6O2S/c1-4-23-14-16-13(17-18-14)15-12(22)10-8-11(21)20(9-10)7-5-6-19(2)3/h10H,4-9H2,1-3H3,(H2,15,16,17,18,22)
InChIKeyOUSLAHHKCBCABB-UHFFFAOYSA-N
XLogP0.66
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-(dimethylamino)propyl]-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 108809966) is 1-[3-(dimethylamino)propyl]-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide is CCSc1n[nH]c(NC(=O)C2CC(=O)N(CCCN(C)C)C2)n1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OUSLAHHKCBCABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2S/c1-4-23-14-16-13(17-18-14)15-12(22)10-8-11(21)20(9-10)7-5-6-19(2)3/h10H,4-9H2,1-3H3,(H2,15,16,17,18,22).
What are the key properties of 1-[3-(dimethylamino)propyl]-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
1-[3-(dimethylamino)propyl]-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108809966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).