1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine

C15H20N4O3S — CID 126816757

IUPAC1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine
SMILESN#CCc1cccc(C(=O)N2CCCCC2CNS(N)(=O)=O)c1
InChIInChI=1S/C15H20N4O3S/c16-8-7-12-4-3-5-13(10-12)15(20)19-9-2-1-6-14(19)11-18-23(17,21)22/h3-5,10,14,18H,1-2,6-7,9,11H2,(H2,17,21,22)
InChIKeyQQALAGRAUHJAEB-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.54
Rot. Bonds5

About 1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine

1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine (PubChem CID 126816757) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine
PubChem CID126816757
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine
SMILESN#CCc1cccc(C(=O)N2CCCCC2CNS(N)(=O)=O)c1
InChIInChI=1S/C15H20N4O3S/c16-8-7-12-4-3-5-13(10-12)15(20)19-9-2-1-6-14(19)11-18-23(17,21)22/h3-5,10,14,18H,1-2,6-7,9,11H2,(H2,17,21,22)
InChIKeyQQALAGRAUHJAEB-UHFFFAOYSA-N
XLogP0.54
TPSA116.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-methylpiperidine-1-carbonyl)phenyl]acetonitrile
CID 82179313
2-[3-[(2S)-2-phenacylpyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 97041772
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722457
[3-(aminomethyl)phenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633838
benzyl (2R)-1-[3-(cyanomethyl)benzoyl]pyrrolidine-2-carboxylate
CID 95233575
[2-(aminomethyl)piperidin-1-yl]-[3-(benzenesulfonylmethyl)phenyl]methanone;hydrochloride
CID 119469703
2-[3-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 129427986
2-[3-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 95297980
3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 43073290
2-[3-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 98761490
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine (CID 126816757) is 1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine is N#CCc1cccc(C(=O)N2CCCCC2CNS(N)(=O)=O)c1.
What is the InChIKey of 1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine?
The InChIKey is QQALAGRAUHJAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c16-8-7-12-4-3-5-13(10-12)15(20)19-9-2-1-6-14(19)11-18-23(17,21)22/h3-5,10,14,18H,1-2,6-7,9,11H2,(H2,17,21,22).
What are the key properties of 1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine?
1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine has a molecular weight of 336.42 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyanomethyl)benzoyl]-2-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 126816757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).