N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide

C15H25N3O2S — CID 95211899

IUPACN-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C15H25N3O2S/c1-2-10-21(19,20)17-11-14-6-5-9-18(12-14)13-15-7-3-4-8-16-15/h3-4,7-8,14,17H,2,5-6,9-13H2,1H3/t14-/m0/s1
InChIKeyVZJQJUSWCKCHDG-AWEZNQCLSA-N
MW311.45 g/mol
LogP1.62
Rot. Bonds7

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

N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide (PubChem CID 95211899) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide
PubChem CID95211899
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C15H25N3O2S/c1-2-10-21(19,20)17-11-14-6-5-9-18(12-14)13-15-7-3-4-8-16-15/h3-4,7-8,14,17H,2,5-6,9-13H2,1H3/t14-/m0/s1
InChIKeyVZJQJUSWCKCHDG-AWEZNQCLSA-N
XLogP1.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 94816598
4-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42520803
2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide
CID 95227434
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 75493544
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
1-benzyl-3-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 95201612
2-[[(3S)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124973199
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine
CID 63847232
4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane
CID 70787701

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide (CID 95211899) is N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1.
What is the InChIKey of N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide?
The InChIKey is VZJQJUSWCKCHDG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-10-21(19,20)17-11-14-6-5-9-18(12-14)13-15-7-3-4-8-16-15/h3-4,7-8,14,17H,2,5-6,9-13H2,1H3/t14-/m0/s1.
What are the key properties of N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide?
N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 95211899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).