N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C20H33N3O3S — CID 119658992

IUPACN-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CCC(N)C(C)C)CC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-15(2)19(21)11-12-22(4)20(24)17-9-13-23(14-10-17)27(25,26)18-7-5-16(3)6-8-18/h5-8,15,17,19H,9-14,21H2,1-4H3
InChIKeyDKEZIOMDJYKLAX-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.23
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 119658992) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID119658992
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CCC(N)C(C)C)CC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-15(2)19(21)11-12-22(4)20(24)17-9-13-23(14-10-17)27(25,26)18-7-5-16(3)6-8-18/h5-8,15,17,19H,9-14,21H2,1-4H3
InChIKeyDKEZIOMDJYKLAX-UHFFFAOYSA-N
XLogP2.23
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 8795304
3-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207581
N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 26558399
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151
N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119659992
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100649266
N-ethyl-1-(4-methylphenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide
CID 46554998
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
CID 119435824
(3R)-N-methyl-N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100665394
1-(3,4-dimethoxyphenyl)sulfonyl-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 30856966
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 71901894

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 119658992) is N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CCC(N)C(C)C)CC2)cc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is DKEZIOMDJYKLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-15(2)19(21)11-12-22(4)20(24)17-9-13-23(14-10-17)27(25,26)18-7-5-16(3)6-8-18/h5-8,15,17,19H,9-14,21H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 395.57 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 119658992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).