N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide

C14H23N3O3S — CID 124956556

IUPACN-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1
InChIInChI=1S/C14H23N3O3S/c1-2-10-21(19,20)16-11-14(18)7-5-9-17(12-14)13-6-3-4-8-15-13/h3-4,6,8,16,18H,2,5,7,9-12H2,1H3/t14-/m0/s1
InChIKeyFSIPSSKJBIZKHH-AWEZNQCLSA-N
MW313.42 g/mol
LogP0.74
Rot. Bonds6

About N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide

N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide (PubChem CID 124956556) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide
PubChem CID124956556
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1
InChIInChI=1S/C14H23N3O3S/c1-2-10-21(19,20)16-11-14(18)7-5-9-17(12-14)13-6-3-4-8-15-13/h3-4,6,8,16,18H,2,5,7,9-12H2,1H3/t14-/m0/s1
InChIKeyFSIPSSKJBIZKHH-AWEZNQCLSA-N
XLogP0.74
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide (CID 124956556) is N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NC[C@@]1(O)CCCN(c2ccccn2)C1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide?
The InChIKey is FSIPSSKJBIZKHH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-10-21(19,20)16-11-14(18)7-5-9-17(12-14)13-6-3-4-8-15-13/h3-4,6,8,16,18H,2,5,7,9-12H2,1H3/t14-/m0/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide?
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 124956556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).