N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide

C12H19NO2S — CID 94197100

IUPACN-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H](c1ccccc1)C(C)C
InChIInChI=1S/C12H19NO2S/c1-4-16(14,15)13-12(10(2)3)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3/t12-/m0/s1
InChIKeyHHBWFFLNMFXESC-LBPRGKRZSA-N
MW241.36 g/mol
LogP2.32
Rot. Bonds5

About N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide

N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide (PubChem CID 94197100) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
PubChem CID94197100
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H](c1ccccc1)C(C)C
InChIInChI=1S/C12H19NO2S/c1-4-16(14,15)13-12(10(2)3)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3/t12-/m0/s1
InChIKeyHHBWFFLNMFXESC-LBPRGKRZSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
N-(2-amino-1,2-diphenylethyl)-3-methyl-2-propan-2-ylbutane-1-sulfonamide
CID 59537696
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide
CID 51249152
(2S)-2-(ethylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide
CID 110286664
N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide
CID 111448440
2-(ethylsulfonylamino)-2-phenylethanethioamide
CID 61121905
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine
CID 55112331
2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine
CID 107759149
2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide
CID 42960098

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide?
The IUPAC name of N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide (CID 94197100) is N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide?
The canonical SMILES for N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide is CCS(=O)(=O)N[C@H](c1ccccc1)C(C)C.
What is the InChIKey of N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide?
The InChIKey is HHBWFFLNMFXESC-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-16(14,15)13-12(10(2)3)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide?
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide is sourced from PubChem (CID 94197100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).