(2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol

C10H16N2O4S — CID 68653266

IUPAC(2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol
SMILESCS(=O)(=O)c1cc([C@@H](N)C[C@H](O)CO)ccn1
InChIInChI=1S/C10H16N2O4S/c1-17(15,16)10-4-7(2-3-12-10)9(11)5-8(14)6-13/h2-4,8-9,13-14H,5-6,11H2,1H3/t8-,9-/m0/s1
InChIKeyZHFJUAGCADSGMQ-IUCAKERBSA-N
MW260.31 g/mol
LogP-0.77
Rot. Bonds5

About (2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol

(2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol (PubChem CID 68653266) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is (2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name(2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol
PubChem CID68653266
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name(2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol
SMILESCS(=O)(=O)c1cc([C@@H](N)C[C@H](O)CO)ccn1
InChIInChI=1S/C10H16N2O4S/c1-17(15,16)10-4-7(2-3-12-10)9(11)5-8(14)6-13/h2-4,8-9,13-14H,5-6,11H2,1H3/t8-,9-/m0/s1
InChIKeyZHFJUAGCADSGMQ-IUCAKERBSA-N
XLogP-0.77
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,2S)-1-benzyl-2-hydroxy-3-(2-pyridylsulfanyl)propyl]-4-methyl-benzenesulfonamide
CID 56931591
(s)-1-(2-(Methylsulfonyl)pyridin-4-yl)propan-1-amine
CID 58222740
3-(((2-Tosylpyridin-3-yl)methyl)amino)propan-1-ol
CID 60175662
(1R,2S)-2-amino-3-fluoro-1-[4-(6-methylsulfonyl-3-pyridinyl)phenyl]propan-1-ol
CID 71050086
[(2Z,8S)-3-(4-fluorophenyl)-2-(2-methylsulfonyl-4-pyridinyl)-1,6,7,8-tetrahydro-1,4-diazocin-8-yl]methanol
CID 142175815
(2R)-4-phenyl-1-pyridin-2-ylsulfonylbutan-2-ol
CID 101803935
3-Amino-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol
CID 114370114
3-Amino-5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]hexan-1-ol
CID 114370116
(2S,3S)-3-amino-4-cyclohexyl-1-pyridin-2-ylsulfanylbutan-2-ol
CID 18653691
[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]azanium
CID 58222739
(1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine
CID 59278132
(R)-2-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]propane-2-sulfinamide
CID 59278365

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol?
The IUPAC name of (2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol (CID 68653266) is (2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol.
What is the SMILES notation for (2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol?
The canonical SMILES for (2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol is CS(=O)(=O)c1cc([C@@H](N)C[C@H](O)CO)ccn1.
What is the InChIKey of (2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol?
The InChIKey is ZHFJUAGCADSGMQ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-17(15,16)10-4-7(2-3-12-10)9(11)5-8(14)6-13/h2-4,8-9,13-14H,5-6,11H2,1H3/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol?
(2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol has a molecular weight of 260.31 g/mol, XLogP of -0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 68653266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).