N-[2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide

C10H18N6O3S — CID 112531017

IUPACN-[2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(CC(=O)N2CCCC(N)C2)n1
InChIInChI=1S/C10H18N6O3S/c1-20(18,19)14-9-5-12-16(13-9)7-10(17)15-4-2-3-8(11)6-15/h5,8H,2-4,6-7,11H2,1H3,(H,13,14)
InChIKeyXPOYWNHWHOKNFX-UHFFFAOYSA-N
MW302.36 g/mol
LogP-1.40
Rot. Bonds4

About N-[2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide

N-[2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide (PubChem CID 112531017) has the molecular formula C10H18N6O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
PubChem CID112531017
Molecular FormulaC10H18N6O3S
Molecular Weight302.36 g/mol
Exact Mass302.12
IUPAC NameN-[2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(CC(=O)N2CCCC(N)C2)n1
InChIInChI=1S/C10H18N6O3S/c1-20(18,19)14-9-5-12-16(13-9)7-10(17)15-4-2-3-8(11)6-15/h5,8H,2-4,6-7,11H2,1H3,(H,13,14)
InChIKeyXPOYWNHWHOKNFX-UHFFFAOYSA-N
XLogP-1.40
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The IUPAC name of N-[2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide (CID 112531017) is N-[2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cnn(CC(=O)N2CCCC(N)C2)n1.
What is the InChIKey of N-[2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
The InChIKey is XPOYWNHWHOKNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O3S/c1-20(18,19)14-9-5-12-16(13-9)7-10(17)15-4-2-3-8(11)6-15/h5,8H,2-4,6-7,11H2,1H3,(H,13,14).
What are the key properties of N-[2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide?
N-[2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of -1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide is sourced from PubChem (CID 112531017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).