N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

C16H24N4O3S — CID 135110737

IUPACN-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2ncccc2C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H24N4O3S/c1-24(22,23)18-13-6-11-19(12-7-13)15-14(5-4-8-17-15)16(21)20-9-2-3-10-20/h4-5,8,13,18H,2-3,6-7,9-12H2,1H3
InChIKeyXEWULHBBXQUSST-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.84
Rot. Bonds4

About N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (PubChem CID 135110737) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
PubChem CID135110737
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2ncccc2C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H24N4O3S/c1-24(22,23)18-13-6-11-19(12-7-13)15-14(5-4-8-17-15)16(21)20-9-2-3-10-20/h4-5,8,13,18H,2-3,6-7,9-12H2,1H3
InChIKeyXEWULHBBXQUSST-UHFFFAOYSA-N
XLogP0.84
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (CID 135110737) is N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(c2ncccc2C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is XEWULHBBXQUSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-24(22,23)18-13-6-11-19(12-7-13)15-14(5-4-8-17-15)16(21)20-9-2-3-10-20/h4-5,8,13,18H,2-3,6-7,9-12H2,1H3.
What are the key properties of N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 135110737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).