N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide

C11H23FN2O2S — CID 120607128

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide
SMILESCC1CCCCC1(CN)NS(=O)(=O)CCCF
InChIInChI=1S/C11H23FN2O2S/c1-10-5-2-3-6-11(10,9-13)14-17(15,16)8-4-7-12/h10,14H,2-9,13H2,1H3
InChIKeyYOPQFIWCPCWWPT-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.17
Rot. Bonds6

About N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide (PubChem CID 120607128) has the molecular formula C11H23FN2O2S and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide
PubChem CID120607128
Molecular FormulaC11H23FN2O2S
Molecular Weight266.38 g/mol
Exact Mass266.15
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide
SMILESCC1CCCCC1(CN)NS(=O)(=O)CCCF
InChIInChI=1S/C11H23FN2O2S/c1-10-5-2-3-6-11(10,9-13)14-17(15,16)8-4-7-12/h10,14H,2-9,13H2,1H3
InChIKeyYOPQFIWCPCWWPT-UHFFFAOYSA-N
XLogP1.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-4-ethylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83047750
N-[1-(aminomethyl)-3-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058256
N-[1-(aminomethyl)-2-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058933
N-[[2-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058948
N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059415
N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067714
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067865
N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068012
N-(2-amino-1-cyclohexylethyl)-3-fluoropropane-1-sulfonamide
CID 86780702
N-[(1S)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide
CID 99850243
N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide
CID 99850244
N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide
CID 100648695

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide (CID 120607128) is N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide is CC1CCCCC1(CN)NS(=O)(=O)CCCF.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide?
The InChIKey is YOPQFIWCPCWWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O2S/c1-10-5-2-3-6-11(10,9-13)14-17(15,16)8-4-7-12/h10,14H,2-9,13H2,1H3.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoropropane-1-sulfonamide has a molecular weight of 266.38 g/mol, XLogP of 1.17, 6 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]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 120607128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).