(1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide

C14H20N2O3S — CID 97243809

IUPAC(1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide
SMILESCC[C@H](C#N)S(=O)(=O)N[C@@H](C)COc1ccc(C)cc1
InChIInChI=1S/C14H20N2O3S/c1-4-14(9-15)20(17,18)16-12(3)10-19-13-7-5-11(2)6-8-13/h5-8,12,14,16H,4,10H2,1-3H3/t12-,14+/m0/s1
InChIKeyAJTDQGCBWFJDJP-GXTWGEPZSA-N
MW296.39 g/mol
LogP1.98
Rot. Bonds7

About (1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide

(1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide (PubChem CID 97243809) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name(1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide
PubChem CID97243809
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide
SMILESCC[C@H](C#N)S(=O)(=O)N[C@@H](C)COc1ccc(C)cc1
InChIInChI=1S/C14H20N2O3S/c1-4-14(9-15)20(17,18)16-12(3)10-19-13-7-5-11(2)6-8-13/h5-8,12,14,16H,4,10H2,1-3H3/t12-,14+/m0/s1
InChIKeyAJTDQGCBWFJDJP-GXTWGEPZSA-N
XLogP1.98
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine
CID 61168340
N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide
CID 102692367
N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide
CID 94192811
2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
CID 95119287
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 61171488
N-[1-(4-methylphenoxy)propan-2-yl]cyclopentanamine
CID 61168103
2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705
2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide
CID 61486833
5-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]benzonitrile
CID 107931272
N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651239
5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine
CID 63452663
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide?
The IUPAC name of (1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide (CID 97243809) is (1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide.
What is the SMILES notation for (1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide?
The canonical SMILES for (1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide is CC[C@H](C#N)S(=O)(=O)N[C@@H](C)COc1ccc(C)cc1.
What is the InChIKey of (1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide?
The InChIKey is AJTDQGCBWFJDJP-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-14(9-15)20(17,18)16-12(3)10-19-13-7-5-11(2)6-8-13/h5-8,12,14,16H,4,10H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of (1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide?
(1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 97243809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).