(3S,4S)-4-amino-1-methylsulfonylpiperidin-3-ol

C6H14N2O3S — CID 59753864

IUPAC(3S,4S)-4-amino-1-methylsulfonylpiperidin-3-ol
SMILESCS(=O)(=O)N1CC[C@H](N)[C@@H](O)C1
InChIInChI=1S/C6H14N2O3S/c1-12(10,11)8-3-2-5(7)6(9)4-8/h5-6,9H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKeyTWABBRJHCDOBHA-WDSKDSINSA-N
MW194.26 g/mol
LogP-1.66
Rot. Bonds1

About (3S,4S)-4-amino-1-methylsulfonylpiperidin-3-ol

(3S,4S)-4-amino-1-methylsulfonylpiperidin-3-ol (PubChem CID 59753864) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is (3S,4S)-4-amino-1-methylsulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-amino-1-methylsulfonylpiperidin-3-ol
PubChem CID59753864
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name(3S,4S)-4-amino-1-methylsulfonylpiperidin-3-ol
SMILESCS(=O)(=O)N1CC[C@H](N)[C@@H](O)C1
InChIInChI=1S/C6H14N2O3S/c1-12(10,11)8-3-2-5(7)6(9)4-8/h5-6,9H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKeyTWABBRJHCDOBHA-WDSKDSINSA-N
XLogP-1.66
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-1-methylsulfonylpiperidin-3-ol?
The IUPAC name of (3S,4S)-4-amino-1-methylsulfonylpiperidin-3-ol (CID 59753864) is (3S,4S)-4-amino-1-methylsulfonylpiperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-amino-1-methylsulfonylpiperidin-3-ol?
The canonical SMILES for (3S,4S)-4-amino-1-methylsulfonylpiperidin-3-ol is CS(=O)(=O)N1CC[C@H](N)[C@@H](O)C1.
What is the InChIKey of (3S,4S)-4-amino-1-methylsulfonylpiperidin-3-ol?
The InChIKey is TWABBRJHCDOBHA-WDSKDSINSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-12(10,11)8-3-2-5(7)6(9)4-8/h5-6,9H,2-4,7H2,1H3/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-4-amino-1-methylsulfonylpiperidin-3-ol?
(3S,4S)-4-amino-1-methylsulfonylpiperidin-3-ol has a molecular weight of 194.26 g/mol, XLogP of -1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-1-methylsulfonylpiperidin-3-ol is sourced from PubChem (CID 59753864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).