N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine

C11H15NO3S — CID 117036414

IUPACN-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine
SMILESCOc1ccc(S(=O)(=O)CNC2CC2)cc1
InChIInChI=1S/C11H15NO3S/c1-15-10-4-6-11(7-5-10)16(13,14)8-12-9-2-3-9/h4-7,9,12H,2-3,8H2,1H3
InChIKeyZXOQSDNXSAEUHS-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.18
Rot. Bonds5

About N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine

N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine (PubChem CID 117036414) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine
PubChem CID117036414
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine
SMILESCOc1ccc(S(=O)(=O)CNC2CC2)cc1
InChIInChI=1S/C11H15NO3S/c1-15-10-4-6-11(7-5-10)16(13,14)8-12-9-2-3-9/h4-7,9,12H,2-3,8H2,1H3
InChIKeyZXOQSDNXSAEUHS-UHFFFAOYSA-N
XLogP1.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine
CID 117036381
1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone
CID 64642343
2-(4-methoxyphenyl)sulfonyl-N-methylacetamide
CID 47218302
N-[(2-methoxy-4,5-dimethylphenyl)sulfonylmethyl]cyclopropanamine
CID 117036429
1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide
CID 106031224
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023
(2S)-2-[(4-methoxyphenyl)sulfonylmethyl]pyrrolidine
CID 42263004
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-one;hydrochloride
CID 119622483
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane
CID 162420097
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine?
The IUPAC name of N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine (CID 117036414) is N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine?
The canonical SMILES for N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine is COc1ccc(S(=O)(=O)CNC2CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine?
The InChIKey is ZXOQSDNXSAEUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-15-10-4-6-11(7-5-10)16(13,14)8-12-9-2-3-9/h4-7,9,12H,2-3,8H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine?
N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine has a molecular weight of 241.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine is sourced from PubChem (CID 117036414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).