4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine

C11H17IN2O2S — CID 79558463

IUPAC4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine
SMILESCC(C)(CNc1ccc(I)cc1N)S(C)(=O)=O
InChIInChI=1S/C11H17IN2O2S/c1-11(2,17(3,15)16)7-14-10-5-4-8(12)6-9(10)13/h4-6,14H,7,13H2,1-3H3
InChIKeyNITWNZGICZHKEF-UHFFFAOYSA-N
MW368.24 g/mol
LogP2.11
Rot. Bonds4

About 4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine

4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine (PubChem CID 79558463) has the molecular formula C11H17IN2O2S and a molecular weight of 368.24 g/mol. Its IUPAC name is 4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine
PubChem CID79558463
Molecular FormulaC11H17IN2O2S
Molecular Weight368.24 g/mol
Exact Mass368.01
IUPAC Name4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine
SMILESCC(C)(CNc1ccc(I)cc1N)S(C)(=O)=O
InChIInChI=1S/C11H17IN2O2S/c1-11(2,17(3,15)16)7-14-10-5-4-8(12)6-9(10)13/h4-6,14H,7,13H2,1-3H3
InChIKeyNITWNZGICZHKEF-UHFFFAOYSA-N
XLogP2.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethoxy-2-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine
CID 83008502
2-(2-amino-4-iodoanilino)-N-methylacetamide
CID 66066263
methyl 2-(2-amino-4-iodoanilino)acetate
CID 66066838
2-methyl-4-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,4-diamine
CID 79558680
1-N-[(E)-but-2-enyl]-4-iodobenzene-1,2-diamine
CID 131242821
3-amino-4-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzenesulfonamide
CID 63861562
4-iodo-1-N-(4-methylsulfonylphenyl)benzene-1,2-diamine
CID 66066064
1-N-(4-iodo-2-methylphenyl)-2-methylpropane-1,2-diamine
CID 130588894
1-N-(3,3-dimethylbutan-2-yl)-4-iodobenzene-1,2-diamine
CID 104827380
2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide
CID 66066860
3-(2-amino-4-methylsulfonylanilino)-2-methylpropane-1,2-diol
CID 66170096
7-amino-6-[(2-methyl-2-methylsulfonylpropyl)amino]-4H-1,4-benzoxazin-3-one
CID 79561041

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine?
The IUPAC name of 4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine (CID 79558463) is 4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine?
The canonical SMILES for 4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine is CC(C)(CNc1ccc(I)cc1N)S(C)(=O)=O.
What is the InChIKey of 4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine?
The InChIKey is NITWNZGICZHKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O2S/c1-11(2,17(3,15)16)7-14-10-5-4-8(12)6-9(10)13/h4-6,14H,7,13H2,1-3H3.
What are the key properties of 4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine?
4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine has a molecular weight of 368.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 79558463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).