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

C13H28N2O3S — CID 95633235

IUPACN-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC[C@H](O)CN1CCC(C)CC1
InChIInChI=1S/C13H28N2O3S/c1-3-4-9-19(17,18)14-10-13(16)11-15-7-5-12(2)6-8-15/h12-14,16H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyDIUUODNERDENFN-ZDUSSCGKSA-N
MW292.44 g/mol
LogP0.80
Rot. Bonds8

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

N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butane-1-sulfonamide (PubChem CID 95633235) 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]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butane-1-sulfonamide
PubChem CID95633235
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC[C@H](O)CN1CCC(C)CC1
InChIInChI=1S/C13H28N2O3S/c1-3-4-9-19(17,18)14-10-13(16)11-15-7-5-12(2)6-8-15/h12-14,16H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyDIUUODNERDENFN-ZDUSSCGKSA-N
XLogP0.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.80
H-Bond Donors ≤ 52
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]butane-1-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butane-1-sulfonamide (CID 95633235) is N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butane-1-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC[C@H](O)CN1CCC(C)CC1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butane-1-sulfonamide?
The InChIKey is DIUUODNERDENFN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-3-4-9-19(17,18)14-10-13(16)11-15-7-5-12(2)6-8-15/h12-14,16H,3-11H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butane-1-sulfonamide?
N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butane-1-sulfonamide has a molecular weight of 292.44 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 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]butane-1-sulfonamide is sourced from PubChem (CID 95633235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).