N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide

C11H24N2O3S — CID 56806570

IUPACN-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN1CCC(CO)CC1
InChIInChI=1S/C11H24N2O3S/c1-2-9-17(15,16)12-5-8-13-6-3-11(10-14)4-7-13/h11-12,14H,2-10H2,1H3
InChIKeyYLCWZVDRYRTREK-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.02
Rot. Bonds7

About N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide

N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide (PubChem CID 56806570) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide
PubChem CID56806570
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN1CCC(CO)CC1
InChIInChI=1S/C11H24N2O3S/c1-2-9-17(15,16)12-5-8-13-6-3-11(10-14)4-7-13/h11-12,14H,2-10H2,1H3
InChIKeyYLCWZVDRYRTREK-UHFFFAOYSA-N
XLogP0.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide (CID 56806570) is N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCN1CCC(CO)CC1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide?
The InChIKey is YLCWZVDRYRTREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-2-9-17(15,16)12-5-8-13-6-3-11(10-14)4-7-13/h11-12,14H,2-10H2,1H3.
What are the key properties of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide?
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 56806570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).