1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide

C13H20N2O2S — CID 43266860

IUPAC1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H20N2O2S/c1-15(13-7-2-3-8-13)18(16,17)10-11-5-4-6-12(14)9-11/h4-6,9,13H,2-3,7-8,10,14H2,1H3
InChIKeyPZDYBEXBGMIGHJ-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.97
Rot. Bonds4

About 1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide

1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide (PubChem CID 43266860) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
PubChem CID43266860
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H20N2O2S/c1-15(13-7-2-3-8-13)18(16,17)10-11-5-4-6-12(14)9-11/h4-6,9,13H,2-3,7-8,10,14H2,1H3
InChIKeyPZDYBEXBGMIGHJ-UHFFFAOYSA-N
XLogP1.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
CID 43255876
1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide
CID 60978989
1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82741380
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235
1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide
CID 61437561
1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide
CID 62975336
1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446893
1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide
CID 63725048
1-(3-aminophenyl)-N-(2-cyanoethyl)-N-cyclopropylmethanesulfonamide
CID 61126630
1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide
CID 43317757
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
1-(3-aminophenyl)-N-(3-hydroxyphenyl)-N-methylmethanesulfonamide
CID 107733485

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide (CID 43266860) is 1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide is CN(C1CCCC1)S(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide?
The InChIKey is PZDYBEXBGMIGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-15(13-7-2-3-8-13)18(16,17)10-11-5-4-6-12(14)9-11/h4-6,9,13H,2-3,7-8,10,14H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide?
1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide is sourced from PubChem (CID 43266860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).