N-[2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-isoindol-4-yl]-N-methylmethanesulfonamide

C15H20N2O3S — CID 163284794

IUPACN-[2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-isoindol-4-yl]-N-methylmethanesulfonamide
SMILESC[C@@H](C1CC1)N1Cc2cccc(N(C)S(C)(=O)=O)c2C1=O
InChIInChI=1S/C15H20N2O3S/c1-10(11-7-8-11)17-9-12-5-4-6-13(14(12)15(17)18)16(2)21(3,19)20/h4-6,10-11H,7-9H2,1-3H3/t10-/m0/s1
InChIKeyGAAWBCLKDCGDDO-JTQLQIEISA-N
MW308.40 g/mol
LogP1.84
Rot. Bonds4

About N-[2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-isoindol-4-yl]-N-methylmethanesulfonamide

N-[2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-isoindol-4-yl]-N-methylmethanesulfonamide (PubChem CID 163284794) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-isoindol-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-isoindol-4-yl]-N-methylmethanesulfonamide
PubChem CID163284794
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-isoindol-4-yl]-N-methylmethanesulfonamide
SMILESC[C@@H](C1CC1)N1Cc2cccc(N(C)S(C)(=O)=O)c2C1=O
InChIInChI=1S/C15H20N2O3S/c1-10(11-7-8-11)17-9-12-5-4-6-13(14(12)15(17)18)16(2)21(3,19)20/h4-6,10-11H,7-9H2,1-3H3/t10-/m0/s1
InChIKeyGAAWBCLKDCGDDO-JTQLQIEISA-N
XLogP1.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-isoindol-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-isoindol-4-yl]-N-methylmethanesulfonamide (CID 163284794) is N-[2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-isoindol-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-isoindol-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-isoindol-4-yl]-N-methylmethanesulfonamide is C[C@@H](C1CC1)N1Cc2cccc(N(C)S(C)(=O)=O)c2C1=O.
What is the InChIKey of N-[2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-isoindol-4-yl]-N-methylmethanesulfonamide?
The InChIKey is GAAWBCLKDCGDDO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10(11-7-8-11)17-9-12-5-4-6-13(14(12)15(17)18)16(2)21(3,19)20/h4-6,10-11H,7-9H2,1-3H3/t10-/m0/s1.
What are the key properties of N-[2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-isoindol-4-yl]-N-methylmethanesulfonamide?
N-[2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-isoindol-4-yl]-N-methylmethanesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-1-cyclopropylethyl]-3-oxo-1H-isoindol-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 163284794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).