N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine

C14H23NO2S — CID 107759066

IUPACN-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
SMILESCNC(CS(=O)(=O)C(C)C(C)C)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-11(2)12(3)18(16,17)10-14(15-4)13-8-6-5-7-9-13/h5-9,11-12,14-15H,10H2,1-4H3
InChIKeyZNVSEANNBDNMSB-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.41
Rot. Bonds6

About N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine

N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine (PubChem CID 107759066) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
PubChem CID107759066
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
SMILESCNC(CS(=O)(=O)C(C)C(C)C)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-11(2)12(3)18(16,17)10-14(15-4)13-8-6-5-7-9-13/h5-9,11-12,14-15H,10H2,1-4H3
InChIKeyZNVSEANNBDNMSB-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
CID 107759153
2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
CID 64674939
2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
CID 64640001
2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide
CID 114231977
2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62917727
N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine
CID 63199908
2-fluoro-N-methyl-1-phenylethanamine
CID 83815397
lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate
CID 102008925
2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine
CID 114208303
N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64646998
2-tert-butylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64645179
ethane;N-methyl-1-phenylethanamine
CID 91444453

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine?
The IUPAC name of N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine (CID 107759066) is N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine.
What is the SMILES notation for N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine?
The canonical SMILES for N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine is CNC(CS(=O)(=O)C(C)C(C)C)c1ccccc1.
What is the InChIKey of N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine?
The InChIKey is ZNVSEANNBDNMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-11(2)12(3)18(16,17)10-14(15-4)13-8-6-5-7-9-13/h5-9,11-12,14-15H,10H2,1-4H3.
What are the key properties of N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine?
N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine is sourced from PubChem (CID 107759066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).