N-(2-phenylsulfanylpropyl)ethanesulfonamide

C11H17NO2S2 — CID 71997201

IUPACN-(2-phenylsulfanylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)Sc1ccccc1
InChIInChI=1S/C11H17NO2S2/c1-3-16(13,14)12-9-10(2)15-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKeySUUFBAGPUNOIGH-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.11
Rot. Bonds6

About N-(2-phenylsulfanylpropyl)ethanesulfonamide

N-(2-phenylsulfanylpropyl)ethanesulfonamide (PubChem CID 71997201) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-(2-phenylsulfanylpropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylpropyl)ethanesulfonamide
PubChem CID71997201
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC NameN-(2-phenylsulfanylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)Sc1ccccc1
InChIInChI=1S/C11H17NO2S2/c1-3-16(13,14)12-9-10(2)15-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKeySUUFBAGPUNOIGH-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299
N-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine
CID 115677395
2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide
CID 71994113
1-fluoropropan-2-ylsulfanylbenzene
CID 15563457
4-amino-N-(2-phenylsulfanylpropyl)butanamide
CID 119335487
5-phenylsulfanylhexan-3-one
CID 11275800
(2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride
CID 119335478
2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111465730
1-ethyl-2-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(2-phenylsulfanylpropyl)guanidine
CID 111677184
1-ethyl-2-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111677183
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100
methyl 3-phenylsulfanylbutanoate
CID 10750953

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylpropyl)ethanesulfonamide?
The IUPAC name of N-(2-phenylsulfanylpropyl)ethanesulfonamide (CID 71997201) is N-(2-phenylsulfanylpropyl)ethanesulfonamide.
What is the SMILES notation for N-(2-phenylsulfanylpropyl)ethanesulfonamide?
The canonical SMILES for N-(2-phenylsulfanylpropyl)ethanesulfonamide is CCS(=O)(=O)NCC(C)Sc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylpropyl)ethanesulfonamide?
The InChIKey is SUUFBAGPUNOIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-3-16(13,14)12-9-10(2)15-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3.
What are the key properties of N-(2-phenylsulfanylpropyl)ethanesulfonamide?
N-(2-phenylsulfanylpropyl)ethanesulfonamide has a molecular weight of 259.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylpropyl)ethanesulfonamide is sourced from PubChem (CID 71997201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).