N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide

C14H23FN2O3S — CID 166310642

IUPACN-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(C(=O)C2(F)C3CCCCC32)C1
InChIInChI=1S/C14H23FN2O3S/c1-21(19,20)16-10-5-4-8-17(9-10)13(18)14(15)11-6-2-3-7-12(11)14/h10-12,16H,2-9H2,1H3/t10-,11?,12?,14?/m0/s1
InChIKeyRKXHMCYFRLMEKI-ZZIMEFBRSA-N
MW318.41 g/mol
LogP1.05
Rot. Bonds3

About N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide

N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide (PubChem CID 166310642) has the molecular formula C14H23FN2O3S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide
PubChem CID166310642
Molecular FormulaC14H23FN2O3S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC NameN-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(C(=O)C2(F)C3CCCCC32)C1
InChIInChI=1S/C14H23FN2O3S/c1-21(19,20)16-10-5-4-8-17(9-10)13(18)14(15)11-6-2-3-7-12(11)14/h10-12,16H,2-9H2,1H3/t10-,11?,12?,14?/m0/s1
InChIKeyRKXHMCYFRLMEKI-ZZIMEFBRSA-N
XLogP1.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide with MolForge

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Related Compounds

N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide
CID 62490631
N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 56812467
N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 79854784
N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95133490
3-[3-(methanesulfonamido)piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834840
N-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 55679047
3-(methanesulfonamido)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 51083495
N-[(3R)-1-(morpholine-4-carbonyl)azepan-3-yl]methanesulfonamide
CID 96582173
N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
CID 54871310
N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 95150282
(3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 95126760
N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
CID 60945770

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide (CID 166310642) is N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCN(C(=O)C2(F)C3CCCCC32)C1.
What is the InChIKey of N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is RKXHMCYFRLMEKI-ZZIMEFBRSA-N. The full InChI is InChI=1S/C14H23FN2O3S/c1-21(19,20)16-10-5-4-8-17(9-10)13(18)14(15)11-6-2-3-7-12(11)14/h10-12,16H,2-9H2,1H3/t10-,11?,12?,14?/m0/s1.
What are the key properties of N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide?
N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 318.41 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 166310642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).