N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide

C11H20N6O3S — CID 61108452

IUPACN-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)Cn2cnc(N)n2)CC1
InChIInChI=1S/C11H20N6O3S/c1-2-21(19,20)15-9-3-5-16(6-4-9)10(18)7-17-8-13-11(12)14-17/h8-9,15H,2-7H2,1H3,(H2,12,14)
InChIKeyKUUHLNZQXDVAII-UHFFFAOYSA-N
MW316.39 g/mol
LogP-1.21
Rot. Bonds5

About N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide

N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide (PubChem CID 61108452) has the molecular formula C11H20N6O3S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide
PubChem CID61108452
Molecular FormulaC11H20N6O3S
Molecular Weight316.39 g/mol
Exact Mass316.13
IUPAC NameN-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)Cn2cnc(N)n2)CC1
InChIInChI=1S/C11H20N6O3S/c1-2-21(19,20)15-9-3-5-16(6-4-9)10(18)7-17-8-13-11(12)14-17/h8-9,15H,2-7H2,1H3,(H2,12,14)
InChIKeyKUUHLNZQXDVAII-UHFFFAOYSA-N
XLogP-1.21
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide (CID 61108452) is N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)Cn2cnc(N)n2)CC1.
What is the InChIKey of N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide?
The InChIKey is KUUHLNZQXDVAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O3S/c1-2-21(19,20)15-9-3-5-16(6-4-9)10(18)7-17-8-13-11(12)14-17/h8-9,15H,2-7H2,1H3,(H2,12,14).
What are the key properties of N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide?
N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide has a molecular weight of 316.39 g/mol, XLogP of -1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 61108452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).