N-(3-hydroxypiperidin-4-yl)methanesulfonamide

C6H14N2O3S — CID 23401053

IUPACN-(3-hydroxypiperidin-4-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCNCC1O
InChIInChI=1S/C6H14N2O3S/c1-12(10,11)8-5-2-3-7-4-6(5)9/h5-9H,2-4H2,1H3
InChIKeyXVZFXYUAXJXMJH-UHFFFAOYSA-N
MW194.26 g/mol
LogP-1.74
Rot. Bonds2

About N-(3-hydroxypiperidin-4-yl)methanesulfonamide

N-(3-hydroxypiperidin-4-yl)methanesulfonamide (PubChem CID 23401053) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is N-(3-hydroxypiperidin-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypiperidin-4-yl)methanesulfonamide
PubChem CID23401053
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC NameN-(3-hydroxypiperidin-4-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCNCC1O
InChIInChI=1S/C6H14N2O3S/c1-12(10,11)8-5-2-3-7-4-6(5)9/h5-9H,2-4H2,1H3
InChIKeyXVZFXYUAXJXMJH-UHFFFAOYSA-N
XLogP-1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypiperidin-4-yl)methanesulfonamide?
The IUPAC name of N-(3-hydroxypiperidin-4-yl)methanesulfonamide (CID 23401053) is N-(3-hydroxypiperidin-4-yl)methanesulfonamide.
What is the SMILES notation for N-(3-hydroxypiperidin-4-yl)methanesulfonamide?
The canonical SMILES for N-(3-hydroxypiperidin-4-yl)methanesulfonamide is CS(=O)(=O)NC1CCNCC1O.
What is the InChIKey of N-(3-hydroxypiperidin-4-yl)methanesulfonamide?
The InChIKey is XVZFXYUAXJXMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-12(10,11)8-5-2-3-7-4-6(5)9/h5-9H,2-4H2,1H3.
What are the key properties of N-(3-hydroxypiperidin-4-yl)methanesulfonamide?
N-(3-hydroxypiperidin-4-yl)methanesulfonamide has a molecular weight of 194.26 g/mol, XLogP of -1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypiperidin-4-yl)methanesulfonamide is sourced from PubChem (CID 23401053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).