N-ethyl-N-[(1-methyltriazol-4-yl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide

C14H25N5O3S — CID 136522157

IUPACN-ethyl-N-[(1-methyltriazol-4-yl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N(CC)Cc1cn(C)nn1
InChIInChI=1S/C14H25N5O3S/c1-4-9-23(21,22)19-8-6-7-13(19)14(20)18(5-2)11-12-10-17(3)16-15-12/h10,13H,4-9,11H2,1-3H3
InChIKeyMLZQXXXQANHZLA-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.37
Rot. Bonds7

About N-ethyl-N-[(1-methyltriazol-4-yl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide

N-ethyl-N-[(1-methyltriazol-4-yl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 136522157) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-ethyl-N-[(1-methyltriazol-4-yl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-methyltriazol-4-yl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID136522157
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC NameN-ethyl-N-[(1-methyltriazol-4-yl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N(CC)Cc1cn(C)nn1
InChIInChI=1S/C14H25N5O3S/c1-4-9-23(21,22)19-8-6-7-13(19)14(20)18(5-2)11-12-10-17(3)16-15-12/h10,13H,4-9,11H2,1-3H3
InChIKeyMLZQXXXQANHZLA-UHFFFAOYSA-N
XLogP0.37
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-methyltriazol-4-yl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-N-[(1-methyltriazol-4-yl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide (CID 136522157) is N-ethyl-N-[(1-methyltriazol-4-yl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1-methyltriazol-4-yl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(1-methyltriazol-4-yl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)N(CC)Cc1cn(C)nn1.
What is the InChIKey of N-ethyl-N-[(1-methyltriazol-4-yl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is MLZQXXXQANHZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-4-9-23(21,22)19-8-6-7-13(19)14(20)18(5-2)11-12-10-17(3)16-15-12/h10,13H,4-9,11H2,1-3H3.
What are the key properties of N-ethyl-N-[(1-methyltriazol-4-yl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
N-ethyl-N-[(1-methyltriazol-4-yl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 0.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-methyltriazol-4-yl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 136522157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).