N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine

C14H23NO2S — CID 104845309

IUPACN,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine
SMILESCNC(c1ccccc1)C(C)CCCS(C)(=O)=O
InChIInChI=1S/C14H23NO2S/c1-12(8-7-11-18(3,16)17)14(15-2)13-9-5-4-6-10-13/h4-6,9-10,12,14-15H,7-8,11H2,1-3H3
InChIKeyVJXSIJVDILKZRA-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.41
Rot. Bonds7

About N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine

N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine (PubChem CID 104845309) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine
PubChem CID104845309
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine
SMILESCNC(c1ccccc1)C(C)CCCS(C)(=O)=O
InChIInChI=1S/C14H23NO2S/c1-12(8-7-11-18(3,16)17)14(15-2)13-9-5-4-6-10-13/h4-6,9-10,12,14-15H,7-8,11H2,1-3H3
InChIKeyVJXSIJVDILKZRA-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-methyl-2-(2-methylsulfonylethylsulfanyl)-1-phenylpropan-1-amine
CID 64610461
5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine
CID 104845545
5-methylsulfonyl-2-phenylpentan-1-ol
CID 66058366
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
CID 11969836
1-(2-tert-butylphenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115821094
N-methyl-1-(2-methylphenyl)-4-methylsulfonylbutan-1-amine
CID 63192498
4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol
CID 65148469
2-methyl-5-methylsulfonyl-1-phenylpentan-1-one
CID 104844968
4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 105044402
N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
CID 63192027

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine?
The IUPAC name of N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine (CID 104845309) is N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine.
What is the SMILES notation for N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine?
The canonical SMILES for N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine is CNC(c1ccccc1)C(C)CCCS(C)(=O)=O.
What is the InChIKey of N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine?
The InChIKey is VJXSIJVDILKZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-12(8-7-11-18(3,16)17)14(15-2)13-9-5-4-6-10-13/h4-6,9-10,12,14-15H,7-8,11H2,1-3H3.
What are the key properties of N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine?
N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine is sourced from PubChem (CID 104845309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).