(1R)-1-phenyl-N-propan-2-ylethanesulfonamide

C11H17NO2S — CID 172528563

IUPAC(1R)-1-phenyl-N-propan-2-ylethanesulfonamide
SMILESCC(C)NS(=O)(=O)[C@H](C)c1ccccc1
InChIInChI=1S/C11H17NO2S/c1-9(2)12-15(13,14)10(3)11-7-5-4-6-8-11/h4-10,12H,1-3H3/t10-/m1/s1
InChIKeyBOVJDGIOJIAZMM-SNVBAGLBSA-N
MW227.33 g/mol
LogP2.08
Rot. Bonds4

About (1R)-1-phenyl-N-propan-2-ylethanesulfonamide

(1R)-1-phenyl-N-propan-2-ylethanesulfonamide (PubChem CID 172528563) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is (1R)-1-phenyl-N-propan-2-ylethanesulfonamide.

Molecular Properties

Compound Name(1R)-1-phenyl-N-propan-2-ylethanesulfonamide
PubChem CID172528563
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name(1R)-1-phenyl-N-propan-2-ylethanesulfonamide
SMILESCC(C)NS(=O)(=O)[C@H](C)c1ccccc1
InChIInChI=1S/C11H17NO2S/c1-9(2)12-15(13,14)10(3)11-7-5-4-6-8-11/h4-10,12H,1-3H3/t10-/m1/s1
InChIKeyBOVJDGIOJIAZMM-SNVBAGLBSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylethanesulfonic acid
CID 10997746
1-phenylethanesulfonic acid;hydrochloride
CID 174640646
2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride
CID 45110477
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100
(2S)-2-(ethylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide
CID 110286664
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
2-methoxy-N-(1-phenylethyl)ethanesulfonamide
CID 71683981
N-[(1R)-1-phenylethyl]prop-2-ene-1-sulfonamide
CID 142953388
1-[4-(1-phenylethylsulfonyl)phenyl]ethanone
CID 82165495
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N-propan-2-ylethanesulfonamide?
The IUPAC name of (1R)-1-phenyl-N-propan-2-ylethanesulfonamide (CID 172528563) is (1R)-1-phenyl-N-propan-2-ylethanesulfonamide.
What is the SMILES notation for (1R)-1-phenyl-N-propan-2-ylethanesulfonamide?
The canonical SMILES for (1R)-1-phenyl-N-propan-2-ylethanesulfonamide is CC(C)NS(=O)(=O)[C@H](C)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-N-propan-2-ylethanesulfonamide?
The InChIKey is BOVJDGIOJIAZMM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9(2)12-15(13,14)10(3)11-7-5-4-6-8-11/h4-10,12H,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-phenyl-N-propan-2-ylethanesulfonamide?
(1R)-1-phenyl-N-propan-2-ylethanesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-N-propan-2-ylethanesulfonamide is sourced from PubChem (CID 172528563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).