(1S)-2-methylsulfonyl-1-[(3S)-piperidin-3-yl]ethanol

C8H17NO3S — CID 175631002

IUPAC(1S)-2-methylsulfonyl-1-[(3S)-piperidin-3-yl]ethanol
SMILESCS(=O)(=O)C[C@@H](O)[C@H]1CCCNC1
InChIInChI=1S/C8H17NO3S/c1-13(11,12)6-8(10)7-3-2-4-9-5-7/h7-10H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyUUQACIKOIYSMNW-JGVFFNPUSA-N
MW207.29 g/mol
LogP-0.61
Rot. Bonds3

About (1S)-2-methylsulfonyl-1-[(3S)-piperidin-3-yl]ethanol

(1S)-2-methylsulfonyl-1-[(3S)-piperidin-3-yl]ethanol (PubChem CID 175631002) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (1S)-2-methylsulfonyl-1-[(3S)-piperidin-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-methylsulfonyl-1-[(3S)-piperidin-3-yl]ethanol
PubChem CID175631002
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(1S)-2-methylsulfonyl-1-[(3S)-piperidin-3-yl]ethanol
SMILESCS(=O)(=O)C[C@@H](O)[C@H]1CCCNC1
InChIInChI=1S/C8H17NO3S/c1-13(11,12)6-8(10)7-3-2-4-9-5-7/h7-10H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyUUQACIKOIYSMNW-JGVFFNPUSA-N
XLogP-0.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methylsulfonyl-1-[(3S)-piperidin-3-yl]ethanol?
The IUPAC name of (1S)-2-methylsulfonyl-1-[(3S)-piperidin-3-yl]ethanol (CID 175631002) is (1S)-2-methylsulfonyl-1-[(3S)-piperidin-3-yl]ethanol.
What is the SMILES notation for (1S)-2-methylsulfonyl-1-[(3S)-piperidin-3-yl]ethanol?
The canonical SMILES for (1S)-2-methylsulfonyl-1-[(3S)-piperidin-3-yl]ethanol is CS(=O)(=O)C[C@@H](O)[C@H]1CCCNC1.
What is the InChIKey of (1S)-2-methylsulfonyl-1-[(3S)-piperidin-3-yl]ethanol?
The InChIKey is UUQACIKOIYSMNW-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-13(11,12)6-8(10)7-3-2-4-9-5-7/h7-10H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (1S)-2-methylsulfonyl-1-[(3S)-piperidin-3-yl]ethanol?
(1S)-2-methylsulfonyl-1-[(3S)-piperidin-3-yl]ethanol has a molecular weight of 207.29 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methylsulfonyl-1-[(3S)-piperidin-3-yl]ethanol is sourced from PubChem (CID 175631002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).