N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine

C14H19FN2O3S — CID 102920207

IUPACN-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine
SMILESO=S(=O)(c1cc(F)ccc1CNC1CC1)N1CCOCC1
InChIInChI=1S/C14H19FN2O3S/c15-12-2-1-11(10-16-13-3-4-13)14(9-12)21(18,19)17-5-7-20-8-6-17/h1-2,9,13,16H,3-8,10H2
InChIKeyBAGKBTXKFVPMGU-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.10
Rot. Bonds5

About N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine

N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine (PubChem CID 102920207) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine
PubChem CID102920207
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine
SMILESO=S(=O)(c1cc(F)ccc1CNC1CC1)N1CCOCC1
InChIInChI=1S/C14H19FN2O3S/c15-12-2-1-11(10-16-13-3-4-13)14(9-12)21(18,19)17-5-7-20-8-6-17/h1-2,9,13,16H,3-8,10H2
InChIKeyBAGKBTXKFVPMGU-UHFFFAOYSA-N
XLogP1.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-[2-[(3R)-3-methylmorpholin-4-yl]sulfonylphenyl]phenyl]methyl]propan-1-amine
CID 44599984
N-[[2-fluoro-4-[2-[(3R)-3-methylmorpholin-4-yl]sulfonylphenyl]phenyl]methyl]-2-methylpropan-1-amine
CID 44600140
[4-(Morpholine-4-sulfonyl)phenyl]methanamine
CID 4962072
N-(2-ethoxyethyl)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10425899
N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanesulfonamide
CID 76332110
2,5-difluoro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190682
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 18133317
N-methyl-4-[(3-propylmorpholin-4-yl)methyl]benzenesulfonamide
CID 56919121
N-[2-(4-morpholinyl)-2-phenylethyl]benzenesulfonamide
CID 3119017
N-[(2-fluorophenyl)methyl]-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine
CID 8978238
3,5-difluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 17510183
3-fluoro-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 17512166

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine (CID 102920207) is N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine is O=S(=O)(c1cc(F)ccc1CNC1CC1)N1CCOCC1.
What is the InChIKey of N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine?
The InChIKey is BAGKBTXKFVPMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c15-12-2-1-11(10-16-13-3-4-13)14(9-12)21(18,19)17-5-7-20-8-6-17/h1-2,9,13,16H,3-8,10H2.
What are the key properties of N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine?
N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine has a molecular weight of 314.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 102920207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).