2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol

C14H23NO3S — CID 81412818

IUPAC2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C14H23NO3S/c1-5-14(3,10-16)9-15-13-8-12(19(4,17)18)7-6-11(13)2/h6-8,15-16H,5,9-10H2,1-4H3
InChIKeyGOONSHUCYJTCBJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.22
Rot. Bonds6

About 2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol

2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol (PubChem CID 81412818) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol
PubChem CID81412818
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C14H23NO3S/c1-5-14(3,10-16)9-15-13-8-12(19(4,17)18)7-6-11(13)2/h6-8,15-16H,5,9-10H2,1-4H3
InChIKeyGOONSHUCYJTCBJ-UHFFFAOYSA-N
XLogP2.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
CID 43685183
3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2-methylbenzenesulfonamide
CID 81419909
2,2-diethyl-4-(2-methyl-5-methylsulfonylanilino)-4-oxobutanoic acid
CID 41391421
5-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,2-dimethylbenzenesulfonamide
CID 81413513
2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 60846841
4-[(2-methyl-5-methylsulfonylanilino)methyl]benzene-1,2-diol
CID 43685118
2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide
CID 25353073
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
N-[(2-ethylpyrazol-3-yl)methyl]-2-methyl-5-methylsulfonylaniline
CID 114555098
3-[(2-methyl-5-methylsulfonylanilino)methyl]benzene-1,2-diol
CID 61317456
3-(2-amino-4-methylsulfonylanilino)-2-methylpropane-1,2-diol
CID 66170096
N-[(3-bromo-4-methylphenyl)methyl]-2-methyl-5-methylsulfonylaniline
CID 105401189

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol (CID 81412818) is 2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol is CCC(C)(CO)CNc1cc(S(C)(=O)=O)ccc1C.
What is the InChIKey of 2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol?
The InChIKey is GOONSHUCYJTCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-5-14(3,10-16)9-15-13-8-12(19(4,17)18)7-6-11(13)2/h6-8,15-16H,5,9-10H2,1-4H3.
What are the key properties of 2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol?
2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol has a molecular weight of 285.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol is sourced from PubChem (CID 81412818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).