2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine

C16H25NO3S — CID 64675202

IUPAC2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(CS(=O)(=O)C1CCCCC1)c1cccc(OC)c1
InChIInChI=1S/C16H25NO3S/c1-17-16(13-7-6-8-14(11-13)20-2)12-21(18,19)15-9-4-3-5-10-15/h6-8,11,15-17H,3-5,9-10,12H2,1-2H3
InChIKeyYBRCHZHSUAGWNK-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.70
Rot. Bonds6

About 2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine

2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 64675202) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine
PubChem CID64675202
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(CS(=O)(=O)C1CCCCC1)c1cccc(OC)c1
InChIInChI=1S/C16H25NO3S/c1-17-16(13-7-6-8-14(11-13)20-2)12-21(18,19)15-9-4-3-5-10-15/h6-8,11,15-17H,3-5,9-10,12H2,1-2H3
InChIKeyYBRCHZHSUAGWNK-UHFFFAOYSA-N
XLogP2.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62917727
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CID 90623438
2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64675196
1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine
CID 107758622
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine
CID 64675092
2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 65325112
2-[(3-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 21317833
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
2-cyclopentyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 79019406
1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one
CID 123909157
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine (CID 64675202) is 2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine is CNC(CS(=O)(=O)C1CCCCC1)c1cccc(OC)c1.
What is the InChIKey of 2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is YBRCHZHSUAGWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-17-16(13-7-6-8-14(11-13)20-2)12-21(18,19)15-9-4-3-5-10-15/h6-8,11,15-17H,3-5,9-10,12H2,1-2H3.
What are the key properties of 2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine?
2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 311.45 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 64675202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).