N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide

C9H15N5O3S — CID 112530466

IUPACN-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cn(CC(=O)N2CCCC2)nn1
InChIInChI=1S/C9H15N5O3S/c1-18(16,17)11-8-6-14(12-10-8)7-9(15)13-4-2-3-5-13/h6,11H,2-5,7H2,1H3
InChIKeyBSSCICVVDCORBO-UHFFFAOYSA-N
MW273.32 g/mol
LogP-0.73
Rot. Bonds4

About N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide

N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide (PubChem CID 112530466) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide
PubChem CID112530466
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC NameN-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cn(CC(=O)N2CCCC2)nn1
InChIInChI=1S/C9H15N5O3S/c1-18(16,17)11-8-6-14(12-10-8)7-9(15)13-4-2-3-5-13/h6,11H,2-5,7H2,1H3
InChIKeyBSSCICVVDCORBO-UHFFFAOYSA-N
XLogP-0.73
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide (CID 112530466) is N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cn(CC(=O)N2CCCC2)nn1.
What is the InChIKey of N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide?
The InChIKey is BSSCICVVDCORBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c1-18(16,17)11-8-6-14(12-10-8)7-9(15)13-4-2-3-5-13/h6,11H,2-5,7H2,1H3.
What are the key properties of N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide?
N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide has a molecular weight of 273.32 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]methanesulfonamide is sourced from PubChem (CID 112530466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).