N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C20H33N3O3S — CID 119598627

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(CN)CC(C)C)CC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-15(2)13-20(4,14-21)22-19(24)17-9-11-23(12-10-17)27(25,26)18-7-5-16(3)6-8-18/h5-8,15,17H,9-14,21H2,1-4H3,(H,22,24)
InChIKeyYDTIVFDUXUNLCZ-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.28
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 119598627) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID119598627
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(CN)CC(C)C)CC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-15(2)13-20(4,14-21)22-19(24)17-9-11-23(12-10-17)27(25,26)18-7-5-16(3)6-8-18/h5-8,15,17H,9-14,21H2,1-4H3,(H,22,24)
InChIKeyYDTIVFDUXUNLCZ-UHFFFAOYSA-N
XLogP2.28
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119598626
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119598801
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119522881
N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119570056
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 119597476
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
N-(1-amino-2-methylpropan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119522375
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119573994
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 95601230
N-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119569489
ethyl 4-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55609575
1-(4-methylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 26068233

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 119598627) is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(CN)CC(C)C)CC2)cc1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is YDTIVFDUXUNLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-15(2)13-20(4,14-21)22-19(24)17-9-11-23(12-10-17)27(25,26)18-7-5-16(3)6-8-18/h5-8,15,17H,9-14,21H2,1-4H3,(H,22,24).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 395.57 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 119598627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).