N-(3-methylsulfonylpropyl)methanesulfonamide

C5H13NO4S2 — CID 47387492

IUPACN-(3-methylsulfonylpropyl)methanesulfonamide
SMILESCS(=O)(=O)CCCNS(C)(=O)=O
InChIInChI=1S/C5H13NO4S2/c1-11(7,8)5-3-4-6-12(2,9)10/h6H,3-5H2,1-2H3
InChIKeyJYBHGCKRRGEFSA-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.03
Rot. Bonds5

About N-(3-methylsulfonylpropyl)methanesulfonamide

N-(3-methylsulfonylpropyl)methanesulfonamide (PubChem CID 47387492) has the molecular formula C5H13NO4S2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)methanesulfonamide
PubChem CID47387492
Molecular FormulaC5H13NO4S2
Molecular Weight215.30 g/mol
Exact Mass215.03
IUPAC NameN-(3-methylsulfonylpropyl)methanesulfonamide
SMILESCS(=O)(=O)CCCNS(C)(=O)=O
InChIInChI=1S/C5H13NO4S2/c1-11(7,8)5-3-4-6-12(2,9)10/h6H,3-5H2,1-2H3
InChIKeyJYBHGCKRRGEFSA-UHFFFAOYSA-N
XLogP-1.03
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methanesulfonylbutan-2-amine
CID 23562465
3-(Methylsulfonyl)propan-1-amine
CID 21949286
Methylsulfonylbutylamine
CID 191144
2-Methanesulfonylpropan-1-amine
CID 54446112
N-butyltetrahydrothiophene-3-sulfonamide 1,1-dioxide
CID 3439064
3-Methanesulfonylpropan-1-amine hydrochloride
CID 21949285
3-(Ethanesulfonyl)propan-1-amine hydrochloride
CID 23089204
N-[2-(methylsulfanyl)ethyl]methanesulfonamide
CID 59559064
4-Methanesulfonyl-butylamine
CID 191145
3-(Ethanesulfonyl)propan-1-amine
CID 21458690
1,1-dioxo-N-propylthiolane-3-sulfonamide
CID 18593872
2-Amino-4-methylsulfonyl-butane-thiol
CID 85777341

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)methanesulfonamide?
The IUPAC name of N-(3-methylsulfonylpropyl)methanesulfonamide (CID 47387492) is N-(3-methylsulfonylpropyl)methanesulfonamide.
What is the SMILES notation for N-(3-methylsulfonylpropyl)methanesulfonamide?
The canonical SMILES for N-(3-methylsulfonylpropyl)methanesulfonamide is CS(=O)(=O)CCCNS(C)(=O)=O.
What is the InChIKey of N-(3-methylsulfonylpropyl)methanesulfonamide?
The InChIKey is JYBHGCKRRGEFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S2/c1-11(7,8)5-3-4-6-12(2,9)10/h6H,3-5H2,1-2H3.
What are the key properties of N-(3-methylsulfonylpropyl)methanesulfonamide?
N-(3-methylsulfonylpropyl)methanesulfonamide has a molecular weight of 215.30 g/mol, XLogP of -1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)methanesulfonamide is sourced from PubChem (CID 47387492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).