(2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol

C15H20N2O4S — CID 97224225

IUPAC(2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol
SMILESCC(C)(C)S(=O)(=O)c1ccc(N[C@@H](CO)c2ccco2)cn1
InChIInChI=1S/C15H20N2O4S/c1-15(2,3)22(19,20)14-7-6-11(9-16-14)17-12(10-18)13-5-4-8-21-13/h4-9,12,17-18H,10H2,1-3H3/t12-/m0/s1
InChIKeyNJJASCRMRDCWNQ-LBPRGKRZSA-N
MW324.40 g/mol
LogP2.39
Rot. Bonds5

About (2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol

(2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol (PubChem CID 97224225) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is (2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol
PubChem CID97224225
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name(2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol
SMILESCC(C)(C)S(=O)(=O)c1ccc(N[C@@H](CO)c2ccco2)cn1
InChIInChI=1S/C15H20N2O4S/c1-15(2,3)22(19,20)14-7-6-11(9-16-14)17-12(10-18)13-5-4-8-21-13/h4-9,12,17-18H,10H2,1-3H3/t12-/m0/s1
InChIKeyNJJASCRMRDCWNQ-LBPRGKRZSA-N
XLogP2.39
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol
CID 133378988
3-[(6-tert-butylsulfonyl-3-pyridinyl)amino]propanoic acid
CID 122048213
6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine
CID 75379530
6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 71920326
6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine
CID 133374020
3-anilino-3-(furan-2-yl)propan-1-ol
CID 83821736
N-[2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]ethyl]pyridine-3-carboxamide
CID 133373984
6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 133373480
(2S)-2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-(furan-2-yl)ethanol
CID 99776461
4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide
CID 62631473
N-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 109379608
3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide
CID 133373609

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol?
The IUPAC name of (2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol (CID 97224225) is (2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol.
What is the SMILES notation for (2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol?
The canonical SMILES for (2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol is CC(C)(C)S(=O)(=O)c1ccc(N[C@@H](CO)c2ccco2)cn1.
What is the InChIKey of (2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol?
The InChIKey is NJJASCRMRDCWNQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-15(2,3)22(19,20)14-7-6-11(9-16-14)17-12(10-18)13-5-4-8-21-13/h4-9,12,17-18H,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol?
(2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol has a molecular weight of 324.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol is sourced from PubChem (CID 97224225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).