N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine

C13H21NO2S — CID 64638612

IUPACN-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine
SMILESCCC(NC)C(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H21NO2S/c1-5-13(14-4)11(3)17(15,16)12-8-6-10(2)7-9-12/h6-9,11,13-14H,5H2,1-4H3
InChIKeyVXGGCHANQXFPMI-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.16
Rot. Bonds5

About N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine

N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine (PubChem CID 64638612) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine
PubChem CID64638612
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine
SMILESCCC(NC)C(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H21NO2S/c1-5-13(14-4)11(3)17(15,16)12-8-6-10(2)7-9-12/h6-9,11,13-14H,5H2,1-4H3
InChIKeyVXGGCHANQXFPMI-UHFFFAOYSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpentan-3-amine
CID 64647258
4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide
CID 71762025
4-methyl-N-[(2R,3S)-2-methyl-1-oxopentan-3-yl]benzenesulfonamide
CID 102085271
2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine
CID 64640406
N-ethyl-2-(4-nitrophenyl)sulfonylpentan-3-amine
CID 64645910
N-methyl-2-[(3-methylphenyl)methylsulfonyl]pentan-3-amine
CID 64675441
1-methyl-4-(1-nitroethylsulfonyl)benzene
CID 12512634
N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine
CID 64703972
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine
CID 64639433
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide
CID 7730689
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine?
The IUPAC name of N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine (CID 64638612) is N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine?
The canonical SMILES for N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine is CCC(NC)C(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine?
The InChIKey is VXGGCHANQXFPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-13(14-4)11(3)17(15,16)12-8-6-10(2)7-9-12/h6-9,11,13-14H,5H2,1-4H3.
What are the key properties of N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine?
N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine has a molecular weight of 255.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)sulfonylpentan-3-amine is sourced from PubChem (CID 64638612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).