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

C9H17N5O2S — CID 64512672

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)N2CCCC2)n[nH]1
InChIInChI=1S/C9H17N5O2S/c1-8-10-9(12-11-8)7-13(2)17(15,16)14-5-3-4-6-14/h3-7H2,1-2H3,(H,10,11,12)
InChIKeyFPCPWGXBUPLKEL-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.11
Rot. Bonds4

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

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 64512672) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-sulfonamide
PubChem CID64512672
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)N2CCCC2)n[nH]1
InChIInChI=1S/C9H17N5O2S/c1-8-10-9(12-11-8)7-13(2)17(15,16)14-5-3-4-6-14/h3-7H2,1-2H3,(H,10,11,12)
InChIKeyFPCPWGXBUPLKEL-UHFFFAOYSA-N
XLogP-0.11
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]pyrrolidine-1-sulfonamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-sulfonamide (CID 64512672) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-sulfonamide is Cc1nc(CN(C)S(=O)(=O)N2CCCC2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is FPCPWGXBUPLKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-8-10-9(12-11-8)7-13(2)17(15,16)14-5-3-4-6-14/h3-7H2,1-2H3,(H,10,11,12).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-sulfonamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 64512672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).