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

C10H19N5O2S — CID 55201912

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCn1cnnc1CCNS(=O)(=O)CC1CCCN1
InChIInChI=1S/C10H19N5O2S/c1-15-8-12-14-10(15)4-6-13-18(16,17)7-9-3-2-5-11-9/h8-9,11,13H,2-7H2,1H3
InChIKeyHMPAAKCEHXULJZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.97
Rot. Bonds6

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

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 55201912) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID55201912
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCn1cnnc1CCNS(=O)(=O)CC1CCCN1
InChIInChI=1S/C10H19N5O2S/c1-15-8-12-14-10(15)4-6-13-18(16,17)7-9-3-2-5-11-9/h8-9,11,13H,2-7H2,1H3
InChIKeyHMPAAKCEHXULJZ-UHFFFAOYSA-N
XLogP-0.97
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide (CID 55201912) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide is Cn1cnnc1CCNS(=O)(=O)CC1CCCN1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is HMPAAKCEHXULJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-15-8-12-14-10(15)4-6-13-18(16,17)7-9-3-2-5-11-9/h8-9,11,13H,2-7H2,1H3.
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of -0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 55201912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).