N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride

C17H32ClN5O3S — CID 119824243

IUPACN-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
SMILESCCCN(C(=O)C(C)NS(=O)(=O)c1c(C)nn(C)c1C)C1CCNCC1.Cl
InChIInChI=1S/C17H31N5O3S.ClH/c1-6-11-22(15-7-9-18-10-8-15)17(23)13(3)20-26(24,25)16-12(2)19-21(5)14(16)4;/h13,15,18,20H,6-11H2,1-5H3;1H
InChIKeyNTBCSNJNLLYPLS-UHFFFAOYSA-N
MW422.00 g/mol
LogP1.12
Rot. Bonds7

About N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride

N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119824243) has the molecular formula C17H32ClN5O3S and a molecular weight of 422.00 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
PubChem CID119824243
Molecular FormulaC17H32ClN5O3S
Molecular Weight422.00 g/mol
Exact Mass421.19
IUPAC NameN-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
SMILESCCCN(C(=O)C(C)NS(=O)(=O)c1c(C)nn(C)c1C)C1CCNCC1.Cl
InChIInChI=1S/C17H31N5O3S.ClH/c1-6-11-22(15-7-9-18-10-8-15)17(23)13(3)20-26(24,25)16-12(2)19-21(5)14(16)4;/h13,15,18,20H,6-11H2,1-5H3;1H
InChIKeyNTBCSNJNLLYPLS-UHFFFAOYSA-N
XLogP1.12
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.00
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride with MolForge

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Related Compounds

N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 119531042
N,N-dimethyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 47372336
N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119535173
N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 119415813
N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 120555090
2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530888
N,1,3,5-tetramethyl-N-piperidin-4-ylpyrazole-4-sulfonamide;hydrochloride
CID 119966073
N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 95142288
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid
CID 119171432
N-[1-(3-aminopiperidin-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 119378888
3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride
CID 120712615
(2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119370543

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride (CID 119824243) is N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride is CCCN(C(=O)C(C)NS(=O)(=O)c1c(C)nn(C)c1C)C1CCNCC1.Cl.
What is the InChIKey of N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is NTBCSNJNLLYPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O3S.ClH/c1-6-11-22(15-7-9-18-10-8-15)17(23)13(3)20-26(24,25)16-12(2)19-21(5)14(16)4;/h13,15,18,20H,6-11H2,1-5H3;1H.
What are the key properties of N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride?
N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 422.00 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119824243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).