2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine

C11H14ClNO3S — CID 102569049

IUPAC2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine
SMILESCOCC1(N)CC1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-16-7-11(13)6-10(11)17(14,15)9-4-2-8(12)3-5-9/h2-5,10H,6-7,13H2,1H3
InChIKeyXMBNVDRJNGNVCA-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.23
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine

2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine (PubChem CID 102569049) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine
PubChem CID102569049
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine
SMILESCOCC1(N)CC1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-16-7-11(13)6-10(11)17(14,15)9-4-2-8(12)3-5-9/h2-5,10H,6-7,13H2,1H3
InChIKeyXMBNVDRJNGNVCA-UHFFFAOYSA-N
XLogP1.23
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine
CID 99999781
trans-(1S,2R)-1-(ethoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropan-1-amine
CID 99999804
ethyl 1-amino-2-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylate
CID 102569033
diethyl 2-(4-chlorophenyl)sulfonylcyclopropane-1,1-dicarboxylate
CID 102569031
2-(3-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine
CID 102570867
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropane-1-carbothioamide
CID 102570874
trans-(1R,2S)-1-(methoxymethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbothioamide
CID 99999847
[(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)-3-(4-methylphenyl)cyclopropyl]methanamine
CID 124859006
[(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine
CID 124859345
[(1R,2R,3S)-2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-(methoxymethyl)cyclopropyl]methanamine
CID 124747710
(1S,2R,3R)-2-(4-chlorophenyl)-3-ethylsulfonyl-1-(methoxymethyl)cyclopropan-1-amine
CID 124857943
cis-(1R,2S)-2-(benzenesulfonyl)-1-(methoxymethyl)cyclopropane-1-carbonitrile
CID 99998980

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine (CID 102569049) is 2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine is COCC1(N)CC1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine?
The InChIKey is XMBNVDRJNGNVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-16-7-11(13)6-10(11)17(14,15)9-4-2-8(12)3-5-9/h2-5,10H,6-7,13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine?
2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine has a molecular weight of 275.76 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-1-(methoxymethyl)cyclopropan-1-amine is sourced from PubChem (CID 102569049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).