N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide

C12H21N5O3S — CID 61275918

IUPACN-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(NS(=O)(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C12H21N5O3S/c1-9-11(7-14-15-9)21(19,20)16-10-3-5-17(6-4-10)8-12(18)13-2/h7,10,16H,3-6,8H2,1-2H3,(H,13,18)(H,14,15)
InChIKeyIVXPPBQGPRXXST-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.79
Rot. Bonds5

About N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide

N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide (PubChem CID 61275918) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide
PubChem CID61275918
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC NameN-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(NS(=O)(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C12H21N5O3S/c1-9-11(7-14-15-9)21(19,20)16-10-3-5-17(6-4-10)8-12(18)13-2/h7,10,16H,3-6,8H2,1-2H3,(H,13,18)(H,14,15)
InChIKeyIVXPPBQGPRXXST-UHFFFAOYSA-N
XLogP-0.79
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide (CID 61275918) is N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(NS(=O)(=O)c2cn[nH]c2C)CC1.
What is the InChIKey of N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide?
The InChIKey is IVXPPBQGPRXXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-9-11(7-14-15-9)21(19,20)16-10-3-5-17(6-4-10)8-12(18)13-2/h7,10,16H,3-6,8H2,1-2H3,(H,13,18)(H,14,15).
What are the key properties of N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide?
N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide has a molecular weight of 315.40 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 61275918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).