N-benzhydryl-1-methylsulfonylpropan-2-amine

C17H21NO2S — CID 64629502

IUPACN-benzhydryl-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-14(13-21(2,19)20)18-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17-18H,13H2,1-2H3
InChIKeyCVNQIKNGWGSROS-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.80
Rot. Bonds6

About N-benzhydryl-1-methylsulfonylpropan-2-amine

N-benzhydryl-1-methylsulfonylpropan-2-amine (PubChem CID 64629502) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-benzhydryl-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-benzhydryl-1-methylsulfonylpropan-2-amine
PubChem CID64629502
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-benzhydryl-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-14(13-21(2,19)20)18-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17-18H,13H2,1-2H3
InChIKeyCVNQIKNGWGSROS-UHFFFAOYSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629529
ethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate
CID 103952156
(2-methylsulfonyl-1-phenylethyl)benzene
CID 23546848
2-(benzhydrylamino)propan-1-ol
CID 43499566
(3R)-3-(benzhydrylamino)butanoic acid
CID 69229544
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 81369924
1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81405088
1-methylsulfonyl-N-(1-pyridin-3-ylethyl)propan-2-amine
CID 64631940
3-[1-(1-methylsulfonylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 64629789
N-benzhydryl-1-diethoxyphosphorylpropan-2-amine
CID 10882944
N-[1-(4-iodophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64631396
(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
CID 113350842

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-benzhydryl-1-methylsulfonylpropan-2-amine (CID 64629502) is N-benzhydryl-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-benzhydryl-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-benzhydryl-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-1-methylsulfonylpropan-2-amine?
The InChIKey is CVNQIKNGWGSROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-14(13-21(2,19)20)18-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17-18H,13H2,1-2H3.
What are the key properties of N-benzhydryl-1-methylsulfonylpropan-2-amine?
N-benzhydryl-1-methylsulfonylpropan-2-amine has a molecular weight of 303.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 64629502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).