N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide

C16H28N4O3S — CID 108561912

IUPACN-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C16H28N4O3S/c1-5-13(6-2)16(21)17-14-7-9-20(10-8-14)24(22,23)15-11(3)18-19-12(15)4/h13-14H,5-10H2,1-4H3,(H,17,21)(H,18,19)
InChIKeySGFXEIGKFSDVNM-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.73
Rot. Bonds6

About N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide

N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide (PubChem CID 108561912) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide
PubChem CID108561912
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC NameN-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C16H28N4O3S/c1-5-13(6-2)16(21)17-14-7-9-20(10-8-14)24(22,23)15-11(3)18-19-12(15)4/h13-14H,5-10H2,1-4H3,(H,17,21)(H,18,19)
InChIKeySGFXEIGKFSDVNM-UHFFFAOYSA-N
XLogP1.73
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide (CID 108561912) is N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide is CCC(CC)C(=O)NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide?
The InChIKey is SGFXEIGKFSDVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-5-13(6-2)16(21)17-14-7-9-20(10-8-14)24(22,23)15-11(3)18-19-12(15)4/h13-14H,5-10H2,1-4H3,(H,17,21)(H,18,19).
What are the key properties of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide?
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide has a molecular weight of 356.49 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide is sourced from PubChem (CID 108561912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).