N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylpropane-1-sulfonamide

C13H28N2O3S — CID 97327125

IUPACN-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)C[C@H](O)CN1CCC(C)CC1
InChIInChI=1S/C13H28N2O3S/c1-4-9-19(17,18)14(3)10-13(16)11-15-7-5-12(2)6-8-15/h12-13,16H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyAVWGRXOVOHLGSC-ZDUSSCGKSA-N
MW292.44 g/mol
LogP0.75
Rot. Bonds7

About N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylpropane-1-sulfonamide

N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylpropane-1-sulfonamide (PubChem CID 97327125) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylpropane-1-sulfonamide
PubChem CID97327125
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)C[C@H](O)CN1CCC(C)CC1
InChIInChI=1S/C13H28N2O3S/c1-4-9-19(17,18)14(3)10-13(16)11-15-7-5-12(2)6-8-15/h12-13,16H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyAVWGRXOVOHLGSC-ZDUSSCGKSA-N
XLogP0.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylpropane-1-sulfonamide (CID 97327125) is N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)C[C@H](O)CN1CCC(C)CC1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylpropane-1-sulfonamide?
The InChIKey is AVWGRXOVOHLGSC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-4-9-19(17,18)14(3)10-13(16)11-15-7-5-12(2)6-8-15/h12-13,16H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylpropane-1-sulfonamide?
N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylpropane-1-sulfonamide has a molecular weight of 292.44 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 97327125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).