(3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide

C12H25N3O2S — CID 129431135

IUPAC(3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCNC[C@H]2C)C1
InChIInChI=1S/C12H25N3O2S/c1-10-4-3-7-15(9-10)18(16,17)14-12-5-6-13-8-11(12)2/h10-14H,3-9H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeyLMCIOTHOTMDASU-UTUOFQBUSA-N
MW275.42 g/mol
LogP0.55
Rot. Bonds3

About (3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide

(3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide (PubChem CID 129431135) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is (3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide
PubChem CID129431135
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name(3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCNC[C@H]2C)C1
InChIInChI=1S/C12H25N3O2S/c1-10-4-3-7-15(9-10)18(16,17)14-12-5-6-13-8-11(12)2/h10-14H,3-9H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeyLMCIOTHOTMDASU-UTUOFQBUSA-N
XLogP0.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
CID 35431097
(2R)-2-methyl-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazine
CID 124598606
N-[2-(chloromethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 106367836
N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 114179805
2-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 119970141
3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine
CID 60977614
3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide
CID 114696743
3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide
CID 62491451
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 79685910
(3R,4R)-3-methyl-N-(propan-2-ylsulfamoyl)piperidin-4-amine
CID 99714412

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide?
The IUPAC name of (3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide (CID 129431135) is (3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide?
The canonical SMILES for (3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide is C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCNC[C@H]2C)C1.
What is the InChIKey of (3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide?
The InChIKey is LMCIOTHOTMDASU-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-10-4-3-7-15(9-10)18(16,17)14-12-5-6-13-8-11(12)2/h10-14H,3-9H2,1-2H3/t10-,11-,12+/m1/s1.
What are the key properties of (3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide?
(3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 129431135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).