(3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide

C16H26N4O2S — CID 35323796

IUPAC(3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
SMILESC[C@H]1CCCN(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)C1
InChIInChI=1S/C16H26N4O2S/c1-14-5-4-10-20(13-14)23(21,22)18-12-15-6-7-17-16(11-15)19-8-2-3-9-19/h6-7,11,14,18H,2-5,8-10,12-13H2,1H3/t14-/m0/s1
InChIKeyGDCLBHDJNJCEDF-AWEZNQCLSA-N
MW338.48 g/mol
LogP1.75
Rot. Bonds5

About (3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide

(3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide (PubChem CID 35323796) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is (3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
PubChem CID35323796
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name(3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
SMILESC[C@H]1CCCN(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)C1
InChIInChI=1S/C16H26N4O2S/c1-14-5-4-10-20(13-14)23(21,22)18-12-15-6-7-17-16(11-15)19-8-2-3-9-19/h6-7,11,14,18H,2-5,8-10,12-13H2,1H3/t14-/m0/s1
InChIKeyGDCLBHDJNJCEDF-AWEZNQCLSA-N
XLogP1.75
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide with MolForge

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Related Compounds

ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 47062228
N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55055040
(3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide
CID 95761624
5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
CID 81092682
2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 55872466
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583669
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine
CID 47027396
3,4-difluoro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583572
2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile
CID 35324791
2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62282295

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide?
The IUPAC name of (3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide (CID 35323796) is (3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for (3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide is C[C@H]1CCCN(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)C1.
What is the InChIKey of (3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide?
The InChIKey is GDCLBHDJNJCEDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-14-5-4-10-20(13-14)23(21,22)18-12-15-6-7-17-16(11-15)19-8-2-3-9-19/h6-7,11,14,18H,2-5,8-10,12-13H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide?
(3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide has a molecular weight of 338.48 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 35323796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).