N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride

C17H26ClN3O4S — CID 119699511

IUPACN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CNCCO3)CC2)cc1.Cl
InChIInChI=1S/C17H25N3O4S.ClH/c1-13-2-4-15(5-3-13)25(22,23)20-9-6-14(7-10-20)19-17(21)16-12-18-8-11-24-16;/h2-5,14,16,18H,6-12H2,1H3,(H,19,21);1H
InChIKeyPYOJJYROXDQBQD-UHFFFAOYSA-N
MW403.93 g/mol
LogP0.67
Rot. Bonds4

About N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride

N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119699511) has the molecular formula C17H26ClN3O4S and a molecular weight of 403.93 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride
PubChem CID119699511
Molecular FormulaC17H26ClN3O4S
Molecular Weight403.93 g/mol
Exact Mass403.13
IUPAC NameN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CNCCO3)CC2)cc1.Cl
InChIInChI=1S/C17H25N3O4S.ClH/c1-13-2-4-15(5-3-13)25(22,23)20-9-6-14(7-10-20)19-17(21)16-12-18-8-11-24-16;/h2-5,14,16,18H,6-12H2,1H3,(H,19,21);1H
InChIKeyPYOJJYROXDQBQD-UHFFFAOYSA-N
XLogP0.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.93
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide
CID 119770095
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-3-carboxamide;hydrochloride
CID 119699477
1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide
CID 119426293
N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride
CID 154903636
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119451053
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyrrolidin-3-ylacetamide
CID 119451054
(2S)-N-cyclopentylmorpholine-2-carboxamide
CID 92614945
2-amino-2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide
CID 119699520
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azocane-1-carboxamide
CID 78833850
1-(4-propan-2-ylphenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119450125

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride (CID 119699511) is N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CNCCO3)CC2)cc1.Cl.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is PYOJJYROXDQBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S.ClH/c1-13-2-4-15(5-3-13)25(22,23)20-9-6-14(7-10-20)19-17(21)16-12-18-8-11-24-16;/h2-5,14,16,18H,6-12H2,1H3,(H,19,21);1H.
What are the key properties of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride?
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 403.93 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119699511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).