3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine

C16H26FN3O2S — CID 56750737

IUPAC3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine
SMILESCCN(C)S(=O)(=O)NCC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C16H26FN3O2S/c1-3-19(2)23(21,22)18-11-14-7-6-10-20(12-14)13-15-8-4-5-9-16(15)17/h4-5,8-9,14,18H,3,6-7,10-13H2,1-2H3
InChIKeyKSCVWTSWNMRTSA-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.82
Rot. Bonds7

About 3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine

3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine (PubChem CID 56750737) has the molecular formula C16H26FN3O2S and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine
PubChem CID56750737
Molecular FormulaC16H26FN3O2S
Molecular Weight343.47 g/mol
Exact Mass343.17
IUPAC Name3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine
SMILESCCN(C)S(=O)(=O)NCC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C16H26FN3O2S/c1-3-19(2)23(21,22)18-11-14-7-6-10-20(12-14)13-15-8-4-5-9-16(15)17/h4-5,8-9,14,18H,3,6-7,10-13H2,1-2H3
InChIKeyKSCVWTSWNMRTSA-UHFFFAOYSA-N
XLogP1.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(dimethylsulfamoylamino)methyl]-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidine
CID 42095534
1-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 56743428
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 94816598
1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 95214307
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol
CID 112616106
(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
CID 51656625
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512068
N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide
CID 45234068
3-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45186883
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 25396069

Frequently Asked Questions

What is the IUPAC name of 3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine?
The IUPAC name of 3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine (CID 56750737) is 3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine?
The canonical SMILES for 3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine is CCN(C)S(=O)(=O)NCC1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine?
The InChIKey is KSCVWTSWNMRTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O2S/c1-3-19(2)23(21,22)18-11-14-7-6-10-20(12-14)13-15-8-4-5-9-16(15)17/h4-5,8-9,14,18H,3,6-7,10-13H2,1-2H3.
What are the key properties of 3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine?
3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine has a molecular weight of 343.47 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 56750737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).