N-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide

C17H31N5O3S — CID 131934613

IUPACN-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide
SMILESCC(C)N(C)S(=O)(=O)N1CCC(CNC(=O)CCCn2cccn2)CC1
InChIInChI=1S/C17H31N5O3S/c1-15(2)20(3)26(24,25)22-12-7-16(8-13-22)14-18-17(23)6-4-10-21-11-5-9-19-21/h5,9,11,15-16H,4,6-8,10,12-14H2,1-3H3,(H,18,23)
InChIKeyARIIQNQAKQRRTG-UHFFFAOYSA-N
MW385.53 g/mol
LogP1.08
Rot. Bonds9

About N-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide

N-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide (PubChem CID 131934613) has the molecular formula C17H31N5O3S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide
PubChem CID131934613
Molecular FormulaC17H31N5O3S
Molecular Weight385.53 g/mol
Exact Mass385.21
IUPAC NameN-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide
SMILESCC(C)N(C)S(=O)(=O)N1CCC(CNC(=O)CCCn2cccn2)CC1
InChIInChI=1S/C17H31N5O3S/c1-15(2)20(3)26(24,25)22-12-7-16(8-13-22)14-18-17(23)6-4-10-21-11-5-9-19-21/h5,9,11,15-16H,4,6-8,10,12-14H2,1-3H3,(H,18,23)
InChIKeyARIIQNQAKQRRTG-UHFFFAOYSA-N
XLogP1.08
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide (CID 131934613) is N-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide is CC(C)N(C)S(=O)(=O)N1CCC(CNC(=O)CCCn2cccn2)CC1.
What is the InChIKey of N-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide?
The InChIKey is ARIIQNQAKQRRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O3S/c1-15(2)20(3)26(24,25)22-12-7-16(8-13-22)14-18-17(23)6-4-10-21-11-5-9-19-21/h5,9,11,15-16H,4,6-8,10,12-14H2,1-3H3,(H,18,23).
What are the key properties of N-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide?
N-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide has a molecular weight of 385.53 g/mol, XLogP of 1.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[methyl(propan-2-yl)sulfamoyl]piperidin-4-yl]methyl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 131934613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).