N-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide

C15H23FN2O2S — CID 115308786

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCC1CCCCC1(CN)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2S/c1-12-4-2-3-9-15(12,11-17)18-21(19,20)10-13-5-7-14(16)8-6-13/h5-8,12,18H,2-4,9-11,17H2,1H3
InChIKeySWUBNFSREUPADK-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.15
Rot. Bonds5

About N-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 115308786) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID115308786
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCC1CCCCC1(CN)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2S/c1-12-4-2-3-9-15(12,11-17)18-21(19,20)10-13-5-7-14(16)8-6-13/h5-8,12,18H,2-4,9-11,17H2,1H3
InChIKeySWUBNFSREUPADK-UHFFFAOYSA-N
XLogP2.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 115308803
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylbenzenesulfonamide
CID 115308869
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120607447
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride
CID 120607511
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoro-2-nitrobenzenesulfonamide
CID 120607231
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 120607111
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride
CID 120607527
2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5-fluorobenzamide
CID 115308919
4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide
CID 115309057
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 120607480
N-[1-(aminomethyl)-2-methylcyclohexyl]pyridine-3-sulfonamide;hydrochloride
CID 120607244
N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103295344

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide (CID 115308786) is N-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide is CC1CCCCC1(CN)NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is SWUBNFSREUPADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-12-4-2-3-9-15(12,11-17)18-21(19,20)10-13-5-7-14(16)8-6-13/h5-8,12,18H,2-4,9-11,17H2,1H3.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 115308786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).