N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide

C16H23FN2O3S2 — CID 87009534

IUPACN-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCCN1C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3S2/c1-24(21,22)18-10-9-14-4-2-3-11-19(14)16(20)12-23-15-7-5-13(17)6-8-15/h5-8,14,18H,2-4,9-12H2,1H3
InChIKeyQRIWLROZUJLFQT-UHFFFAOYSA-N
MW374.50 g/mol
LogP2.24
Rot. Bonds7

About N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 87009534) has the molecular formula C16H23FN2O3S2 and a molecular weight of 374.50 g/mol. Its IUPAC name is N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID87009534
Molecular FormulaC16H23FN2O3S2
Molecular Weight374.50 g/mol
Exact Mass374.11
IUPAC NameN-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCCN1C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3S2/c1-24(21,22)18-10-9-14-4-2-3-11-19(14)16(20)12-23-15-7-5-13(17)6-8-15/h5-8,14,18H,2-4,9-12H2,1H3
InChIKeyQRIWLROZUJLFQT-UHFFFAOYSA-N
XLogP2.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 54875968
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593
N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 87009533
N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 92634332
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
N-[2-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 119727534
tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 65142558
2-(4-bromophenyl)sulfanyl-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 60741401
methyl 1-[2-(4-fluorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylate
CID 43409959
N-[2-[(2R)-1-(2-methylfuran-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 94031800
N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92634296
N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 110247073

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide (CID 87009534) is N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CCCCN1C(=O)CSc1ccc(F)cc1.
What is the InChIKey of N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is QRIWLROZUJLFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S2/c1-24(21,22)18-10-9-14-4-2-3-11-19(14)16(20)12-23-15-7-5-13(17)6-8-15/h5-8,14,18H,2-4,9-12H2,1H3.
What are the key properties of N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 374.50 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 87009534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).