(3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide

C14H28N2O3S — CID 97225704

IUPAC(3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide
SMILESC[C@@H]1C[C@H](C)CN(C[C@@H](C)NS(=O)(=O)[C@@H]2CCOC2)C1
InChIInChI=1S/C14H28N2O3S/c1-11-6-12(2)8-16(7-11)9-13(3)15-20(17,18)14-4-5-19-10-14/h11-15H,4-10H2,1-3H3/t11-,12+,13-,14-/m1/s1
InChIKeyHPSKVRUQRCWZDL-XJFOESAGSA-N
MW304.46 g/mol
LogP1.06
Rot. Bonds5

About (3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide

(3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide (PubChem CID 97225704) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide
PubChem CID97225704
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name(3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide
SMILESC[C@@H]1C[C@H](C)CN(C[C@@H](C)NS(=O)(=O)[C@@H]2CCOC2)C1
InChIInChI=1S/C14H28N2O3S/c1-11-6-12(2)8-16(7-11)9-13(3)15-20(17,18)14-4-5-19-10-14/h11-15H,4-10H2,1-3H3/t11-,12+,13-,14-/m1/s1
InChIKeyHPSKVRUQRCWZDL-XJFOESAGSA-N
XLogP1.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide with MolForge

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Related Compounds

N-[1-(3-methylpiperidin-1-yl)propan-2-yl]oxolane-3-sulfonamide
CID 146090184
(3R)-N-propan-2-yloxolane-3-sulfonamide
CID 97175132
N-(4-aminobutan-2-yl)oxane-4-sulfonamide
CID 62093127
3-cyano-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]propane-1-sulfonamide
CID 99848917
2-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-(oxan-4-yl)acetamide
CID 120799022
N-propan-2-yloxane-3-sulfonamide
CID 130684869
N-[(2R)-1-piperidin-1-ylpropan-2-yl]cyclopropanesulfonamide
CID 99827272
(3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide
CID 97317377
N-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide
CID 167774105
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide
CID 91662016
3,5-dimethyl-1-(2-methylpropyl)piperidine
CID 20562086
(2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide
CID 119863487

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide?
The IUPAC name of (3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide (CID 97225704) is (3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide.
What is the SMILES notation for (3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide?
The canonical SMILES for (3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide is C[C@@H]1C[C@H](C)CN(C[C@@H](C)NS(=O)(=O)[C@@H]2CCOC2)C1.
What is the InChIKey of (3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide?
The InChIKey is HPSKVRUQRCWZDL-XJFOESAGSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-11-6-12(2)8-16(7-11)9-13(3)15-20(17,18)14-4-5-19-10-14/h11-15H,4-10H2,1-3H3/t11-,12+,13-,14-/m1/s1.
What are the key properties of (3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide?
(3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]oxolane-3-sulfonamide is sourced from PubChem (CID 97225704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).