(3S,4S)-1-butylsulfonylpiperidine-3,4-diol

C9H19NO4S — CID 56900402

IUPAC(3S,4S)-1-butylsulfonylpiperidine-3,4-diol
SMILESCCCCS(=O)(=O)N1CC[C@H](O)[C@@H](O)C1
InChIInChI=1S/C9H19NO4S/c1-2-3-6-15(13,14)10-5-4-8(11)9(12)7-10/h8-9,11-12H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyWZPWFOHXSUUCJH-IUCAKERBSA-N
MW237.32 g/mol
LogP-0.46
Rot. Bonds4

About (3S,4S)-1-butylsulfonylpiperidine-3,4-diol

(3S,4S)-1-butylsulfonylpiperidine-3,4-diol (PubChem CID 56900402) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is (3S,4S)-1-butylsulfonylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-1-butylsulfonylpiperidine-3,4-diol
PubChem CID56900402
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name(3S,4S)-1-butylsulfonylpiperidine-3,4-diol
SMILESCCCCS(=O)(=O)N1CC[C@H](O)[C@@H](O)C1
InChIInChI=1S/C9H19NO4S/c1-2-3-6-15(13,14)10-5-4-8(11)9(12)7-10/h8-9,11-12H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyWZPWFOHXSUUCJH-IUCAKERBSA-N
XLogP-0.46
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-butylsulfonylpiperidine-3,4-diol?
The IUPAC name of (3S,4S)-1-butylsulfonylpiperidine-3,4-diol (CID 56900402) is (3S,4S)-1-butylsulfonylpiperidine-3,4-diol.
What is the SMILES notation for (3S,4S)-1-butylsulfonylpiperidine-3,4-diol?
The canonical SMILES for (3S,4S)-1-butylsulfonylpiperidine-3,4-diol is CCCCS(=O)(=O)N1CC[C@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4S)-1-butylsulfonylpiperidine-3,4-diol?
The InChIKey is WZPWFOHXSUUCJH-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-2-3-6-15(13,14)10-5-4-8(11)9(12)7-10/h8-9,11-12H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-1-butylsulfonylpiperidine-3,4-diol?
(3S,4S)-1-butylsulfonylpiperidine-3,4-diol has a molecular weight of 237.32 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-butylsulfonylpiperidine-3,4-diol is sourced from PubChem (CID 56900402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).