N-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C20H33N3O3S — CID 119569489

IUPACN-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C20H33N3O3S/c1-5-20(6-2,14-21)22-19(24)17-9-11-23(12-10-17)27(25,26)18-8-7-15(3)16(4)13-18/h7-8,13,17H,5-6,9-12,14,21H2,1-4H3,(H,22,24)
InChIKeySOQDIRRUVNXJKV-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.34
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 119569489) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID119569489
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C20H33N3O3S/c1-5-20(6-2,14-21)22-19(24)17-9-11-23(12-10-17)27(25,26)18-8-7-15(3)16(4)13-18/h7-8,13,17H,5-6,9-12,14,21H2,1-4H3,(H,22,24)
InChIKeySOQDIRRUVNXJKV-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119570056
N-(3-aminopropyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119405837
N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 120509212
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 26695745
N-(3-amino-2,2-dimethylpropyl)-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 119653551
N-(3-aminobutyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119495981
N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33151117
N-[3-(aminomethyl)pentan-3-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 119568726
1-(3,4-dimethylphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 26776108
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4806788
1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 8759981

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 119569489) is N-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is CCC(CC)(CN)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SOQDIRRUVNXJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-5-20(6-2,14-21)22-19(24)17-9-11-23(12-10-17)27(25,26)18-8-7-15(3)16(4)13-18/h7-8,13,17H,5-6,9-12,14,21H2,1-4H3,(H,22,24).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 395.57 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 119569489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).