N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride

C18H30ClN3O3S — CID 119461187

IUPACN-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NCC2CCCNC2)c(C)c1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-13-9-14(2)18(15(3)10-13)25(23,24)21-8-6-17(22)20-12-16-5-4-7-19-11-16;/h9-10,16,19,21H,4-8,11-12H2,1-3H3,(H,20,22);1H
InChIKeyGNQMITLJCNOJJB-UHFFFAOYSA-N
MW403.98 g/mol
LogP1.82
Rot. Bonds7

About N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride

N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride (PubChem CID 119461187) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
PubChem CID119461187
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC NameN-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NCC2CCCNC2)c(C)c1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-13-9-14(2)18(15(3)10-13)25(23,24)21-8-6-17(22)20-12-16-5-4-7-19-11-16;/h9-10,16,19,21H,4-8,11-12H2,1-3H3,(H,20,22);1H
InChIKeyGNQMITLJCNOJJB-UHFFFAOYSA-N
XLogP1.82
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119463159
N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119530760
4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462344
N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 119475722
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 35515241
2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461053
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119573316
2,6-dimethyl-4-nitro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979216
2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462971
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119558527
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride (CID 119461187) is N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride is Cc1cc(C)c(S(=O)(=O)NCCC(=O)NCC2CCCNC2)c(C)c1.Cl.
What is the InChIKey of N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
The InChIKey is GNQMITLJCNOJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-13-9-14(2)18(15(3)10-13)25(23,24)21-8-6-17(22)20-12-16-5-4-7-19-11-16;/h9-10,16,19,21H,4-8,11-12H2,1-3H3,(H,20,22);1H.
What are the key properties of N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride?
N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 119461187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).