N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide

C11H23FN2O2S — CID 99850244

IUPACN-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide
SMILESNC[C@H](NS(=O)(=O)CCCF)C1CCCCC1
InChIInChI=1S/C11H23FN2O2S/c12-7-4-8-17(15,16)14-11(9-13)10-5-2-1-3-6-10/h10-11,14H,1-9,13H2/t11-/m0/s1
InChIKeyXIYLYUSFXRLTHX-NSHDSACASA-N
MW266.38 g/mol
LogP1.17
Rot. Bonds7

About N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide

N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide (PubChem CID 99850244) has the molecular formula C11H23FN2O2S and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide
PubChem CID99850244
Molecular FormulaC11H23FN2O2S
Molecular Weight266.38 g/mol
Exact Mass266.15
IUPAC NameN-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide
SMILESNC[C@H](NS(=O)(=O)CCCF)C1CCCCC1
InChIInChI=1S/C11H23FN2O2S/c12-7-4-8-17(15,16)14-11(9-13)10-5-2-1-3-6-10/h10-11,14H,1-9,13H2/t11-/m0/s1
InChIKeyXIYLYUSFXRLTHX-NSHDSACASA-N
XLogP1.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

2-Amino-2-cyclohexylethanesulfonic acid
CID 10798377
3-(3-Aminocyclohexyl)propane-1-sulfonic acid
CID 20365848
3-Amino-3-cyclohexylpropane-1-sulfonic acid
CID 21666758
N-(3-ethylcyclohexyl)-3,3-dimethylbutane-1-sulfonamide
CID 91643251
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
(3R)-3-amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 11521729
(2R,3R)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11564958
(3S)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11579592
3-Amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11608402
(2S,3R)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11651638
(2R)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11658760
(2R,3S)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11687341

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide (CID 99850244) is N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide is NC[C@H](NS(=O)(=O)CCCF)C1CCCCC1.
What is the InChIKey of N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide?
The InChIKey is XIYLYUSFXRLTHX-NSHDSACASA-N. The full InChI is InChI=1S/C11H23FN2O2S/c12-7-4-8-17(15,16)14-11(9-13)10-5-2-1-3-6-10/h10-11,14H,1-9,13H2/t11-/m0/s1.
What are the key properties of N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide?
N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide has a molecular weight of 266.38 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 99850244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).