(3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide

C17H29N3O2S — CID 100605032

IUPAC(3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1
InChIInChI=1S/C17H29N3O2S/c1-14-9-8-12-20(13-14)23(21,22)18-15(2)17(19(3)4)16-10-6-5-7-11-16/h5-7,10-11,14-15,17-18H,8-9,12-13H2,1-4H3/t14-,15-,17+/m1/s1
InChIKeyJMOGKUASPOITCC-INMHGKMJSA-N
MW339.50 g/mol
LogP2.24
Rot. Bonds6

About (3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide

(3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide (PubChem CID 100605032) has the molecular formula C17H29N3O2S and a molecular weight of 339.50 g/mol. Its IUPAC name is (3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide
PubChem CID100605032
Molecular FormulaC17H29N3O2S
Molecular Weight339.50 g/mol
Exact Mass339.20
IUPAC Name(3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1
InChIInChI=1S/C17H29N3O2S/c1-14-9-8-12-20(13-14)23(21,22)18-15(2)17(19(3)4)16-10-6-5-7-11-16/h5-7,10-11,14-15,17-18H,8-9,12-13H2,1-4H3/t14-,15-,17+/m1/s1
InChIKeyJMOGKUASPOITCC-INMHGKMJSA-N
XLogP2.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide (CID 100605032) is (3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide is C[C@@H]1CCCN(S(=O)(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1.
What is the InChIKey of (3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is JMOGKUASPOITCC-INMHGKMJSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-14-9-8-12-20(13-14)23(21,22)18-15(2)17(19(3)4)16-10-6-5-7-11-16/h5-7,10-11,14-15,17-18H,8-9,12-13H2,1-4H3/t14-,15-,17+/m1/s1.
What are the key properties of (3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide?
(3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 339.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 100605032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).