N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide

C10H19N5O2S — CID 64518861

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)CC2CCCN2)n[nH]1
InChIInChI=1S/C10H19N5O2S/c1-8-12-10(14-13-8)6-15(2)18(16,17)7-9-4-3-5-11-9/h9,11H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyUXAHGFMXXFRMNS-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.37
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 64518861) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID64518861
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)CC2CCCN2)n[nH]1
InChIInChI=1S/C10H19N5O2S/c1-8-12-10(14-13-8)6-15(2)18(16,17)7-9-4-3-5-11-9/h9,11H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyUXAHGFMXXFRMNS-UHFFFAOYSA-N
XLogP-0.37
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide (CID 64518861) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide is Cc1nc(CN(C)S(=O)(=O)CC2CCCN2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is UXAHGFMXXFRMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-8-12-10(14-13-8)6-15(2)18(16,17)7-9-4-3-5-11-9/h9,11H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 64518861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).