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

C10H18N6O3S — CID 61106034

IUPACN-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)Cn2cnc(N)n2)C1
InChIInChI=1S/C10H18N6O3S/c1-20(18,19)14-8-3-2-4-15(5-8)9(17)6-16-7-12-10(11)13-16/h7-8,14H,2-6H2,1H3,(H2,11,13)
InChIKeyKMKAETHHDZMBGQ-UHFFFAOYSA-N
MW302.36 g/mol
LogP-1.60
Rot. Bonds4

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

N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]methanesulfonamide (PubChem CID 61106034) has the molecular formula C10H18N6O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]methanesulfonamide
PubChem CID61106034
Molecular FormulaC10H18N6O3S
Molecular Weight302.36 g/mol
Exact Mass302.12
IUPAC NameN-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)Cn2cnc(N)n2)C1
InChIInChI=1S/C10H18N6O3S/c1-20(18,19)14-8-3-2-4-15(5-8)9(17)6-16-7-12-10(11)13-16/h7-8,14H,2-6H2,1H3,(H2,11,13)
InChIKeyKMKAETHHDZMBGQ-UHFFFAOYSA-N
XLogP-1.60
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 ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-piperidin-4-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 43345765
1-(4-Aminopiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 43556264
1-(4-aminopiperidin-1-yl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
CID 43556270
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]methanesulfonamide (CID 61106034) is N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)Cn2cnc(N)n2)C1.
What is the InChIKey of N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is KMKAETHHDZMBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O3S/c1-20(18,19)14-8-3-2-4-15(5-8)9(17)6-16-7-12-10(11)13-16/h7-8,14H,2-6H2,1H3,(H2,11,13).
What are the key properties of N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]methanesulfonamide?
N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of -1.60, 4 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-3-yl]methanesulfonamide is sourced from PubChem (CID 61106034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).