2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide

C12H21N5O3S — CID 61138398

IUPAC2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
SMILESCCn1cc(S(=O)(=O)N2CCC(CC(N)=O)CC2)c(N)n1
InChIInChI=1S/C12H21N5O3S/c1-2-16-8-10(12(14)15-16)21(19,20)17-5-3-9(4-6-17)7-11(13)18/h8-9H,2-7H2,1H3,(H2,13,18)(H2,14,15)
InChIKeyDSTKHBBPGNJNSF-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.24
Rot. Bonds5

About 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide

2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 61138398) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
PubChem CID61138398
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
SMILESCCn1cc(S(=O)(=O)N2CCC(CC(N)=O)CC2)c(N)n1
InChIInChI=1S/C12H21N5O3S/c1-2-16-8-10(12(14)15-16)21(19,20)17-5-3-9(4-6-17)7-11(13)18/h8-9H,2-7H2,1H3,(H2,13,18)(H2,14,15)
InChIKeyDSTKHBBPGNJNSF-UHFFFAOYSA-N
XLogP-0.24
TPSA124.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide (CID 61138398) is 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide is CCn1cc(S(=O)(=O)N2CCC(CC(N)=O)CC2)c(N)n1.
What is the InChIKey of 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is DSTKHBBPGNJNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-2-16-8-10(12(14)15-16)21(19,20)17-5-3-9(4-6-17)7-11(13)18/h8-9H,2-7H2,1H3,(H2,13,18)(H2,14,15).
What are the key properties of 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide?
2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 315.40 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 61138398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).