N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide

C14H23NO3S — CID 94661169

IUPACN-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H](C)c1ccccc1OC(C)C
InChIInChI=1S/C14H23NO3S/c1-5-10-19(16,17)15-12(4)13-8-6-7-9-14(13)18-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3/t12-/m0/s1
InChIKeyAXCNOSICGRTHRP-LBPRGKRZSA-N
MW285.41 g/mol
LogP2.86
Rot. Bonds7

About N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide

N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide (PubChem CID 94661169) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide
PubChem CID94661169
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H](C)c1ccccc1OC(C)C
InChIInChI=1S/C14H23NO3S/c1-5-10-19(16,17)15-12(4)13-8-6-7-9-14(13)18-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3/t12-/m0/s1
InChIKeyAXCNOSICGRTHRP-LBPRGKRZSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-propan-2-yloxyphenyl)ethylsulfamoyl]propanoic acid
CID 43716797
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1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene
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2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 107650835
3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 43361900
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037571
1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine
CID 64631767
N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387329
N-[(1R)-1-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 28560460
N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 146353198
N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide
CID 43298052
methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate
CID 115282442

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide (CID 94661169) is N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)N[C@@H](C)c1ccccc1OC(C)C.
What is the InChIKey of N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide?
The InChIKey is AXCNOSICGRTHRP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-5-10-19(16,17)15-12(4)13-8-6-7-9-14(13)18-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide?
N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 94661169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).