3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine

C15H27N3O4S — CID 45210868

IUPAC3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine
SMILESCOCc1ccc(CN2CCCC(CNS(=O)(=O)N(C)C)C2)o1
InChIInChI=1S/C15H27N3O4S/c1-17(2)23(19,20)16-9-13-5-4-8-18(10-13)11-14-6-7-15(22-14)12-21-3/h6-7,13,16H,4-5,8-12H2,1-3H3
InChIKeyWDXIMTZLGYYRJY-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.03
Rot. Bonds8

About 3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine

3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine (PubChem CID 45210868) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine
PubChem CID45210868
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC Name3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine
SMILESCOCc1ccc(CN2CCCC(CNS(=O)(=O)N(C)C)C2)o1
InChIInChI=1S/C15H27N3O4S/c1-17(2)23(19,20)16-9-13-5-4-8-18(10-13)11-14-6-7-15(22-14)12-21-3/h6-7,13,16H,4-5,8-12H2,1-3H3
InChIKeyWDXIMTZLGYYRJY-UHFFFAOYSA-N
XLogP1.03
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 26399178
methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61204990
(3R)-3-[(dimethylsulfamoylamino)methyl]-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidine
CID 42095534
2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide
CID 25374410
N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide
CID 26334003
N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 97275202
N-[[1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 72876889
3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine
CID 56750737
3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 45210083
5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide
CID 78876241
1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 45229387
1-[2-(1,3-benzodioxol-5-yl)acetyl]-3-[(dimethylsulfamoylamino)methyl]piperidine
CID 72912279

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine?
The IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine (CID 45210868) is 3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine.
What is the SMILES notation for 3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine?
The canonical SMILES for 3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine is COCc1ccc(CN2CCCC(CNS(=O)(=O)N(C)C)C2)o1.
What is the InChIKey of 3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine?
The InChIKey is WDXIMTZLGYYRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-17(2)23(19,20)16-9-13-5-4-8-18(10-13)11-14-6-7-15(22-14)12-21-3/h6-7,13,16H,4-5,8-12H2,1-3H3.
What are the key properties of 3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine?
3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine has a molecular weight of 345.47 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine is sourced from PubChem (CID 45210868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).