N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide

C10H21FN2O2S — CID 100648695

IUPACN-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide
SMILESNC[C@H]1CCCC[C@H]1NS(=O)(=O)CCCF
InChIInChI=1S/C10H21FN2O2S/c11-6-3-7-16(14,15)13-10-5-2-1-4-9(10)8-12/h9-10,13H,1-8,12H2/t9-,10-/m1/s1
InChIKeyFVNUIRJBMXXEPM-NXEZZACHSA-N
MW252.35 g/mol
LogP0.78
Rot. Bonds6

About N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide

N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide (PubChem CID 100648695) has the molecular formula C10H21FN2O2S and a molecular weight of 252.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide
PubChem CID100648695
Molecular FormulaC10H21FN2O2S
Molecular Weight252.35 g/mol
Exact Mass252.13
IUPAC NameN-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide
SMILESNC[C@H]1CCCC[C@H]1NS(=O)(=O)CCCF
InChIInChI=1S/C10H21FN2O2S/c11-6-3-7-16(14,15)13-10-5-2-1-4-9(10)8-12/h9-10,13H,1-8,12H2/t9-,10-/m1/s1
InChIKeyFVNUIRJBMXXEPM-NXEZZACHSA-N
XLogP0.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(aminomethyl)cyclohexyl)methanesulfonamide hydrochloride
CID 119031028
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
(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
(3R)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11701468
N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 18360967
(2S)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 58691901
4-[2-Amino-5-(fluoromethyl)cyclohexyl]butane-1-sulfinate
CID 71157134

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide (CID 100648695) is N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide is NC[C@H]1CCCC[C@H]1NS(=O)(=O)CCCF.
What is the InChIKey of N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide?
The InChIKey is FVNUIRJBMXXEPM-NXEZZACHSA-N. The full InChI is InChI=1S/C10H21FN2O2S/c11-6-3-7-16(14,15)13-10-5-2-1-4-9(10)8-12/h9-10,13H,1-8,12H2/t9-,10-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide?
N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide has a molecular weight of 252.35 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 100648695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).