N-(3-phenylsulfanylpropyl)methanesulfonamide

C10H15NO2S2 — CID 47108530

IUPACN-(3-phenylsulfanylpropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCSc1ccccc1
InChIInChI=1S/C10H15NO2S2/c1-15(12,13)11-8-5-9-14-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeyMMKFSGXJRLZJKS-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.72
Rot. Bonds6

About N-(3-phenylsulfanylpropyl)methanesulfonamide

N-(3-phenylsulfanylpropyl)methanesulfonamide (PubChem CID 47108530) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(3-phenylsulfanylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-phenylsulfanylpropyl)methanesulfonamide
PubChem CID47108530
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC NameN-(3-phenylsulfanylpropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCSc1ccccc1
InChIInChI=1S/C10H15NO2S2/c1-15(12,13)11-8-5-9-14-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeyMMKFSGXJRLZJKS-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide
CID 47013157
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111372486
N-[3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]methanesulfonamide
CID 47772818
N-(3-phenylsulfanylpropyl)hydroxylamine
CID 90764549
2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine
CID 61385906
4-(methylsulfonylmethyl)-N-(3-phenylsulfanylpropyl)benzamide
CID 26352356
2,2-dimethyl-N-(3-phenylsulfanylpropyl)oxane-4-sulfonamide
CID 166308027
1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide
CID 33038800
3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide
CID 24818160
N-(2-bromoethyl)-3-phenylsulfanylpropan-1-amine
CID 91622723
N-(4,4-dimethoxy-4-phenylbutyl)methanesulfonamide
CID 110673080
N-(4-oxo-5,5-diphenylpentyl)methanesulfonamide
CID 24751947

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylsulfanylpropyl)methanesulfonamide?
The IUPAC name of N-(3-phenylsulfanylpropyl)methanesulfonamide (CID 47108530) is N-(3-phenylsulfanylpropyl)methanesulfonamide.
What is the SMILES notation for N-(3-phenylsulfanylpropyl)methanesulfonamide?
The canonical SMILES for N-(3-phenylsulfanylpropyl)methanesulfonamide is CS(=O)(=O)NCCCSc1ccccc1.
What is the InChIKey of N-(3-phenylsulfanylpropyl)methanesulfonamide?
The InChIKey is MMKFSGXJRLZJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-15(12,13)11-8-5-9-14-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3.
What are the key properties of N-(3-phenylsulfanylpropyl)methanesulfonamide?
N-(3-phenylsulfanylpropyl)methanesulfonamide has a molecular weight of 245.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylsulfanylpropyl)methanesulfonamide is sourced from PubChem (CID 47108530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).