N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide

C14H20F2N2O2S — CID 95331166

IUPACN-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C14H20F2N2O2S/c1-2-21(19,20)17-11-5-4-8-18(9-11)10-12-13(15)6-3-7-14(12)16/h3,6-7,11,17H,2,4-5,8-10H2,1H3/t11-/m1/s1
InChIKeyICBGCWCXTMPXTP-LLVKDONJSA-N
MW318.39 g/mol
LogP1.87
Rot. Bonds5

About N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide

N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide (PubChem CID 95331166) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide
PubChem CID95331166
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC NameN-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C14H20F2N2O2S/c1-2-21(19,20)17-11-5-4-8-18(9-11)10-12-13(15)6-3-7-14(12)16/h3,6-7,11,17H,2,4-5,8-10H2,1H3/t11-/m1/s1
InChIKeyICBGCWCXTMPXTP-LLVKDONJSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine
CID 95322592
1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 86817506
1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115300011
(3S)-1-[(2,6-difluorophenyl)methyl]-N-ethylpyrrolidine-3-sulfonamide
CID 97343920
(3R)-3-[[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]amino]-N,N-dimethylbutanamide
CID 97231897
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methylimidazole-4-carboxamide
CID 122138262
[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea
CID 118272184
1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine
CID 119128794
2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883983
[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 129380640
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide
CID 56787135
(2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119883979

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide?
The IUPAC name of N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide (CID 95331166) is N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide is CCS(=O)(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1.
What is the InChIKey of N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide?
The InChIKey is ICBGCWCXTMPXTP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-2-21(19,20)17-11-5-4-8-18(9-11)10-12-13(15)6-3-7-14(12)16/h3,6-7,11,17H,2,4-5,8-10H2,1H3/t11-/m1/s1.
What are the key properties of N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide?
N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide has a molecular weight of 318.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 95331166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).