N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide

C14H23N3O4S2 — CID 90521218

IUPACN-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C14H23N3O4S2/c1-12(2)22(18,19)16-10-13-5-8-17(9-6-13)23(20,21)14-4-3-7-15-11-14/h3-4,7,11-13,16H,5-6,8-10H2,1-2H3
InChIKeyHPRFKKYDPOLJLN-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.81
Rot. Bonds6

About N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide

N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide (PubChem CID 90521218) has the molecular formula C14H23N3O4S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide
PubChem CID90521218
Molecular FormulaC14H23N3O4S2
Molecular Weight361.49 g/mol
Exact Mass361.11
IUPAC NameN-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C14H23N3O4S2/c1-12(2)22(18,19)16-10-13-5-8-17(9-6-13)23(20,21)14-4-3-7-15-11-14/h3-4,7,11-13,16H,5-6,8-10H2,1-2H3
InChIKeyHPRFKKYDPOLJLN-UHFFFAOYSA-N
XLogP0.81
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
4-methoxy-3-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzenesulfonamide
CID 90521254
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
CID 63854203
N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
N'-tert-butyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521047
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 46602604
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide (CID 90521218) is N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide?
The InChIKey is HPRFKKYDPOLJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S2/c1-12(2)22(18,19)16-10-13-5-8-17(9-6-13)23(20,21)14-4-3-7-15-11-14/h3-4,7,11-13,16H,5-6,8-10H2,1-2H3.
What are the key properties of N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide?
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide has a molecular weight of 361.49 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 90521218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).