2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine

C14H24N2O2S — CID 115310076

IUPAC2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H24N2O2S/c1-11(2)9-14(3,10-15)16-12-7-5-6-8-13(12)19(4,17)18/h5-8,11,16H,9-10,15H2,1-4H3
InChIKeyDXCGMIDJHTWBIK-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.27
Rot. Bonds6

About 2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine

2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine (PubChem CID 115310076) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine
PubChem CID115310076
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H24N2O2S/c1-11(2)9-14(3,10-15)16-12-7-5-6-8-13(12)19(4,17)18/h5-8,11,16H,9-10,15H2,1-4H3
InChIKeyDXCGMIDJHTWBIK-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-(Methylsulfonyl)phenyl)piperazine
CID 735904
1-(2-(Methylthio)phenyl)piperazine
CID 2736895
4-(2-Benzenesulfonylphenyl)piperazine
CID 11849201
1H-Imidazole-2-methanamine, 4,5-dihydro-N-(2-(methylsulfonyl)phenyl)-
CID 9816461
N-methyl-2-(phenylsulfonyl)aniline
CID 10658135
N-Methyl-2-(methylsulfonyl)benzenamine
CID 14196351
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfonylaniline;hydrochloride
CID 10379435
1-(2-Methylsulfonylphenyl)-4-propylpiperazine
CID 71653447
4-methanesulfonyl-N-(propan-2-yl)aniline
CID 28453403
1-[4-Fluoro-2-(methylsulfonyl)phenyl]piperazine
CID 2782731
1-[2-(Ethanesulfonyl)phenyl]piperidin-4-amine
CID 43383320
4-({4-[(2-Aminoethyl)amino]phenyl}sulfonyl)phenylamine
CID 487092

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine?
The IUPAC name of 2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine (CID 115310076) is 2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine.
What is the SMILES notation for 2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine?
The canonical SMILES for 2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine is CC(C)CC(C)(CN)Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of 2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine?
The InChIKey is DXCGMIDJHTWBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(2)9-14(3,10-15)16-12-7-5-6-8-13(12)19(4,17)18/h5-8,11,16H,9-10,15H2,1-4H3.
What are the key properties of 2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine?
2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine has a molecular weight of 284.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine is sourced from PubChem (CID 115310076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).