N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide

C15H24N2O3S — CID 104524176

IUPACN-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide
SMILESCC1COc2ccccc2C1NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-11-9-20-13-8-6-5-7-12(13)14(11)16-10-15(2,3)17-21(4,18)19/h5-8,11,14,16-17H,9-10H2,1-4H3
InChIKeyPISPYUIIIVREPX-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.67
Rot. Bonds5

About N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide

N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide (PubChem CID 104524176) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide
PubChem CID104524176
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide
SMILESCC1COc2ccccc2C1NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-11-9-20-13-8-6-5-7-12(13)14(11)16-10-15(2,3)17-21(4,18)19/h5-8,11,14,16-17H,9-10H2,1-4H3
InChIKeyPISPYUIIIVREPX-UHFFFAOYSA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide with MolForge

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Related Compounds

3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 106143445
3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propane-1-sulfonamide
CID 104524113
N-cyclopropyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetamide
CID 104523927
4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol
CID 106125894
3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 106369720
4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
CID 104524065
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
N-(2-methyl-2-methylsulfonylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 79558893
3-methyl-N-[3-(triazol-1-yl)propyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524410
N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524045
N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104523924
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 114698615

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide (CID 104524176) is N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide is CC1COc2ccccc2C1NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide?
The InChIKey is PISPYUIIIVREPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-9-20-13-8-6-5-7-12(13)14(11)16-10-15(2,3)17-21(4,18)19/h5-8,11,14,16-17H,9-10H2,1-4H3.
What are the key properties of N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide?
N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 104524176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).