2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine

C13H19NO3S — CID 64674288

IUPAC2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C13H19NO3S/c1-14-10-6-5-9-12(10)18(15,16)13-8-4-3-7-11(13)17-2/h3-4,7-8,10,12,14H,5-6,9H2,1-2H3
InChIKeyBEKANNRHPARWAK-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.61
Rot. Bonds4

About 2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine

2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine (PubChem CID 64674288) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine
PubChem CID64674288
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C13H19NO3S/c1-14-10-6-5-9-12(10)18(15,16)13-8-4-3-7-11(13)17-2/h3-4,7-8,10,12,14H,5-6,9H2,1-2H3
InChIKeyBEKANNRHPARWAK-UHFFFAOYSA-N
XLogP1.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638401
2-(2-fluorophenyl)sulfonyl-N-methylcycloheptan-1-amine
CID 64645152
2-(2-bromophenyl)sulfonyl-N-methylcyclooctan-1-amine
CID 64647628
N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine
CID 106584789
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
CID 62917384
N-methyl-2-naphthalen-2-ylsulfonylcyclopentan-1-amine
CID 64647317
2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64645052
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64639422
2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 116811017
N-methyl-2-(4-propan-2-ylphenyl)sulfonylcyclopentan-1-amine
CID 64639192
2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638589

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine?
The IUPAC name of 2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine (CID 64674288) is 2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine is CNC1CCCC1S(=O)(=O)c1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine?
The InChIKey is BEKANNRHPARWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-14-10-6-5-9-12(10)18(15,16)13-8-4-3-7-11(13)17-2/h3-4,7-8,10,12,14H,5-6,9H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine?
2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine has a molecular weight of 269.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfonyl-N-methylcyclopentan-1-amine is sourced from PubChem (CID 64674288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).