1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol

C18H24N2O3S — CID 133378988

IUPAC1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol
SMILESCC(C)(C)S(=O)(=O)c1ccc(NCC(O)Cc2ccccc2)cn1
InChIInChI=1S/C18H24N2O3S/c1-18(2,3)24(22,23)17-10-9-15(12-20-17)19-13-16(21)11-14-7-5-4-6-8-14/h4-10,12,16,19,21H,11,13H2,1-3H3
InChIKeyZRFXLLIGCJXBPB-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.67
Rot. Bonds6

About 1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol

1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol (PubChem CID 133378988) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol
PubChem CID133378988
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol
SMILESCC(C)(C)S(=O)(=O)c1ccc(NCC(O)Cc2ccccc2)cn1
InChIInChI=1S/C18H24N2O3S/c1-18(2,3)24(22,23)17-10-9-15(12-20-17)19-13-16(21)11-14-7-5-4-6-8-14/h4-10,12,16,19,21H,11,13H2,1-3H3
InChIKeyZRFXLLIGCJXBPB-UHFFFAOYSA-N
XLogP2.67
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-1-phenylbutan-2-ol
CID 133400244
3-[(6-tert-butylsulfonyl-3-pyridinyl)amino]propanoic acid
CID 122048213
6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 133373480
N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine
CID 133374077
2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide
CID 133360538
3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide
CID 133373609
2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]hexanoic acid
CID 122060386
(2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol
CID 97224225
6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine
CID 133359933
(2S)-1-anilino-3-(3-methylphenyl)propan-2-ol;methanesulfonic acid
CID 46833729
6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 71920326
1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine
CID 23535147

Frequently Asked Questions

What is the IUPAC name of 1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol (CID 133378988) is 1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol is CC(C)(C)S(=O)(=O)c1ccc(NCC(O)Cc2ccccc2)cn1.
What is the InChIKey of 1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol?
The InChIKey is ZRFXLLIGCJXBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-18(2,3)24(22,23)17-10-9-15(12-20-17)19-13-16(21)11-14-7-5-4-6-8-14/h4-10,12,16,19,21H,11,13H2,1-3H3.
What are the key properties of 1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol?
1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol has a molecular weight of 348.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 133378988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).