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

C11H20N6O3S — CID 61106764

IUPACN-[[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)Cn1cnc(N)n1
InChIInChI=1S/C11H20N6O3S/c1-21(19,20)14-6-9-4-2-3-5-17(9)10(18)7-16-8-13-11(12)15-16/h8-9,14H,2-7H2,1H3,(H2,12,15)
InChIKeyVGWNXVPWGGNITP-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-2-yl]methyl]methanesulfonamide

N-[[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 61106764) 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-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID61106764
Molecular FormulaC11H20N6O3S
Molecular Weight316.39 g/mol
Exact Mass316.13
IUPAC NameN-[[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)Cn1cnc(N)n1
InChIInChI=1S/C11H20N6O3S/c1-21(19,20)14-6-9-4-2-3-5-17(9)10(18)7-16-8-13-11(12)15-16/h8-9,14H,2-7H2,1H3,(H2,12,15)
InChIKeyVGWNXVPWGGNITP-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

Analyze N-[[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
N-(2-acetamidoethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 72043970
N-{1-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperidin-4-yl}methanesulfonamide
CID 91843778
2-(4,4-dioxo-4lambda6-thia-5-azaspiro[2.5]octan-5-yl)-N-(1-propan-2-yl-1,2,4-triazol-3-yl)acetamide
CID 138008906
N-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 56802723
1-(4-Aminopiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 43556264
N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide
CID 43602106
N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 43602112
N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 43603720
2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 46957626
N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 47036551
1-(4-Methylsulfonylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 47187150

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide (CID 61106764) is N-[[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCCN1C(=O)Cn1cnc(N)n1.
What is the InChIKey of N-[[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is VGWNXVPWGGNITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O3S/c1-21(19,20)14-6-9-4-2-3-5-17(9)10(18)7-16-8-13-11(12)15-16/h8-9,14H,2-7H2,1H3,(H2,12,15).
What are the key properties of N-[[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide 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-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 61106764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).