[1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine

C11H14FNO2S — CID 117032293

IUPAC[1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine
SMILESCc1cc(F)ccc1S(=O)(=O)C1(CN)CC1
InChIInChI=1S/C11H14FNO2S/c1-8-6-9(12)2-3-10(8)16(14,15)11(7-13)4-5-11/h2-3,6H,4-5,7,13H2,1H3
InChIKeyVFPNLBKRWGTKJL-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.40
Rot. Bonds3

About [1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine

[1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine (PubChem CID 117032293) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is [1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine
PubChem CID117032293
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name[1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine
SMILESCc1cc(F)ccc1S(=O)(=O)C1(CN)CC1
InChIInChI=1S/C11H14FNO2S/c1-8-6-9(12)2-3-10(8)16(14,15)11(7-13)4-5-11/h2-3,6H,4-5,7,13H2,1H3
InChIKeyVFPNLBKRWGTKJL-UHFFFAOYSA-N
XLogP1.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-fluoro-2-methylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777543
3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine
CID 117036265
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659
methyl 4-fluoro-2-methylbenzenesulfonate
CID 117037987
1-[(4-fluoro-2-methylphenyl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61124068
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylbenzenesulfonamide
CID 114951847
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119980798
N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 116652221
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114293763
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 79652711
N-(1-amino-2-methylbutan-2-yl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 62008245
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine?
The IUPAC name of [1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine (CID 117032293) is [1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine.
What is the SMILES notation for [1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine?
The canonical SMILES for [1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine is Cc1cc(F)ccc1S(=O)(=O)C1(CN)CC1.
What is the InChIKey of [1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine?
The InChIKey is VFPNLBKRWGTKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-8-6-9(12)2-3-10(8)16(14,15)11(7-13)4-5-11/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of [1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine?
[1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine has a molecular weight of 243.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine is sourced from PubChem (CID 117032293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).