N-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide

C15H24N2O3S — CID 95618065

IUPACN-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide
SMILESC[C@H](CN(C)c1ccccc1)NS(=O)(=O)C[C@@H]1CCOC1
InChIInChI=1S/C15H24N2O3S/c1-13(10-17(2)15-6-4-3-5-7-15)16-21(18,19)12-14-8-9-20-11-14/h3-7,13-14,16H,8-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyIFURWBDOOOOMHK-ZIAGYGMSSA-N
MW312.43 g/mol
LogP1.47
Rot. Bonds7

About N-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide

N-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide (PubChem CID 95618065) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide
PubChem CID95618065
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide
SMILESC[C@H](CN(C)c1ccccc1)NS(=O)(=O)C[C@@H]1CCOC1
InChIInChI=1S/C15H24N2O3S/c1-13(10-17(2)15-6-4-3-5-7-15)16-21(18,19)12-14-8-9-20-11-14/h3-7,13-14,16H,8-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyIFURWBDOOOOMHK-ZIAGYGMSSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide?
The IUPAC name of N-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide (CID 95618065) is N-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide is C[C@H](CN(C)c1ccccc1)NS(=O)(=O)C[C@@H]1CCOC1.
What is the InChIKey of N-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide?
The InChIKey is IFURWBDOOOOMHK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13(10-17(2)15-6-4-3-5-7-15)16-21(18,19)12-14-8-9-20-11-14/h3-7,13-14,16H,8-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of N-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide?
N-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(N-methylanilino)propan-2-yl]-1-[(3R)-oxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 95618065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).