(2S)-1-[2,4-bis(methylsulfonyl)anilino]-4-(dimethylamino)-2-methylbutan-2-ol

C15H26N2O5S2 — CID 99788390

IUPAC(2S)-1-[2,4-bis(methylsulfonyl)anilino]-4-(dimethylamino)-2-methylbutan-2-ol
SMILESCN(C)CC[C@](C)(O)CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O
InChIInChI=1S/C15H26N2O5S2/c1-15(18,8-9-17(2)3)11-16-13-7-6-12(23(4,19)20)10-14(13)24(5,21)22/h6-7,10,16,18H,8-9,11H2,1-5H3/t15-/m0/s1
InChIKeyBHLDWAXJQYALCB-HNNXBMFYSA-N
MW378.52 g/mol
LogP0.61
Rot. Bonds8

About (2S)-1-[2,4-bis(methylsulfonyl)anilino]-4-(dimethylamino)-2-methylbutan-2-ol

(2S)-1-[2,4-bis(methylsulfonyl)anilino]-4-(dimethylamino)-2-methylbutan-2-ol (PubChem CID 99788390) has the molecular formula C15H26N2O5S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (2S)-1-[2,4-bis(methylsulfonyl)anilino]-4-(dimethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2,4-bis(methylsulfonyl)anilino]-4-(dimethylamino)-2-methylbutan-2-ol
PubChem CID99788390
Molecular FormulaC15H26N2O5S2
Molecular Weight378.52 g/mol
Exact Mass378.13
IUPAC Name(2S)-1-[2,4-bis(methylsulfonyl)anilino]-4-(dimethylamino)-2-methylbutan-2-ol
SMILESCN(C)CC[C@](C)(O)CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O
InChIInChI=1S/C15H26N2O5S2/c1-15(18,8-9-17(2)3)11-16-13-7-6-12(23(4,19)20)10-14(13)24(5,21)22/h6-7,10,16,18H,8-9,11H2,1-5H3/t15-/m0/s1
InChIKeyBHLDWAXJQYALCB-HNNXBMFYSA-N
XLogP0.61
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(Difluoromethylsulfonyl)anilino]-2-methylbutan-2-ol
CID 63963191
4-(2,2-Dimethylmorpholin-4-yl)-3-methylsulfonylbenzenesulfonamide
CID 72138558
2,3-Dimethyl-1-(4-methylsulfonylanilino)pentan-2-ol
CID 75484588
2-Methyl-4-(3-methylsulfonylanilino)butan-2-ol
CID 75485071
2-Methyl-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 60239420
1-[[2-(Trifluoromethylsulfonyl)anilino]methyl]cyclobutan-1-ol
CID 60289517
2,5-Dimethyl-1-[2-(trifluoromethylsulfonyl)anilino]hexan-2-ol
CID 60339510
3-[[4-(Difluoromethylsulfonyl)anilino]methyl]pentan-3-ol
CID 62060702
3-[[4-(Trifluoromethylsulfonyl)anilino]methyl]pentan-3-ol
CID 62061189
3-[[2-(Trifluoromethylsulfonyl)anilino]methyl]pentan-3-ol
CID 62061351
2-Methyl-1-[4-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 62662886
2-Methyl-1-[2-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 62662887

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2,4-bis(methylsulfonyl)anilino]-4-(dimethylamino)-2-methylbutan-2-ol?
The IUPAC name of (2S)-1-[2,4-bis(methylsulfonyl)anilino]-4-(dimethylamino)-2-methylbutan-2-ol (CID 99788390) is (2S)-1-[2,4-bis(methylsulfonyl)anilino]-4-(dimethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for (2S)-1-[2,4-bis(methylsulfonyl)anilino]-4-(dimethylamino)-2-methylbutan-2-ol?
The canonical SMILES for (2S)-1-[2,4-bis(methylsulfonyl)anilino]-4-(dimethylamino)-2-methylbutan-2-ol is CN(C)CC[C@](C)(O)CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O.
What is the InChIKey of (2S)-1-[2,4-bis(methylsulfonyl)anilino]-4-(dimethylamino)-2-methylbutan-2-ol?
The InChIKey is BHLDWAXJQYALCB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H26N2O5S2/c1-15(18,8-9-17(2)3)11-16-13-7-6-12(23(4,19)20)10-14(13)24(5,21)22/h6-7,10,16,18H,8-9,11H2,1-5H3/t15-/m0/s1.
What are the key properties of (2S)-1-[2,4-bis(methylsulfonyl)anilino]-4-(dimethylamino)-2-methylbutan-2-ol?
(2S)-1-[2,4-bis(methylsulfonyl)anilino]-4-(dimethylamino)-2-methylbutan-2-ol has a molecular weight of 378.52 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2,4-bis(methylsulfonyl)anilino]-4-(dimethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 99788390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).