N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide

C13H27N3O3S — CID 94024918

IUPACN-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide
SMILESC[C@@H]1CCCN([C@@H](C)CNS(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C13H27N3O3S/c1-12-4-3-5-15(11-12)13(2)10-14-20(17,18)16-6-8-19-9-7-16/h12-14H,3-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyXVIYCIQMWXWQAD-OLZOCXBDSA-N
MW305.44 g/mol
LogP0.27
Rot. Bonds5

About N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide

N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide (PubChem CID 94024918) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide
PubChem CID94024918
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide
SMILESC[C@@H]1CCCN([C@@H](C)CNS(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C13H27N3O3S/c1-12-4-3-5-15(11-12)13(2)10-14-20(17,18)16-6-8-19-9-7-16/h12-14H,3-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyXVIYCIQMWXWQAD-OLZOCXBDSA-N
XLogP0.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide
CID 94061348
2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide
CID 55621415
N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine
CID 97352590
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide
CID 56514188
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779
N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47036190
N-[2-methyl-3-(methylamino)propyl]morpholine-4-sulfonamide
CID 115302914
N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 98752850
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94099206
N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide
CID 43606393
N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120664457

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide?
The IUPAC name of N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide (CID 94024918) is N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide is C[C@@H]1CCCN([C@@H](C)CNS(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide?
The InChIKey is XVIYCIQMWXWQAD-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-12-4-3-5-15(11-12)13(2)10-14-20(17,18)16-6-8-19-9-7-16/h12-14H,3-11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide?
N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide is sourced from PubChem (CID 94024918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).