N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine

C15H23NO3S — CID 75386810

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESCOc1cccc(CN(C)C2CCCC2S(C)(=O)=O)c1
InChIInChI=1S/C15H23NO3S/c1-16(11-12-6-4-7-13(10-12)19-2)14-8-5-9-15(14)20(3,17)18/h4,6-7,10,14-15H,5,8-9,11H2,1-3H3
InChIKeyHNPCOCBDOUVGBV-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.09
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine

N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine (PubChem CID 75386810) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
PubChem CID75386810
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESCOc1cccc(CN(C)C2CCCC2S(C)(=O)=O)c1
InChIInChI=1S/C15H23NO3S/c1-16(11-12-6-4-7-13(10-12)19-2)14-8-5-9-15(14)20(3,17)18/h4,6-7,10,14-15H,5,8-9,11H2,1-3H3
InChIKeyHNPCOCBDOUVGBV-UHFFFAOYSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 129421973
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61419887
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564
N-[(3-methoxyphenyl)methyl]-N-methyltricyclo[5.2.1.02,6]decan-8-amine
CID 72609978
1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79468311
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525
trans-(1S,2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 96567808
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 129034350
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 129424024
methyl 2-[[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]methyl]benzoate
CID 124776937

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine (CID 75386810) is N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine is COc1cccc(CN(C)C2CCCC2S(C)(=O)=O)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is HNPCOCBDOUVGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-16(11-12-6-4-7-13(10-12)19-2)14-8-5-9-15(14)20(3,17)18/h4,6-7,10,14-15H,5,8-9,11H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine?
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 297.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 75386810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).