N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide

C7H18N2O4S2 — CID 63190802

IUPACN-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)CCCNCCNS(C)(=O)=O
InChIInChI=1S/C7H18N2O4S2/c1-14(10,11)7-3-4-8-5-6-9-15(2,12)13/h8-9H,3-7H2,1-2H3
InChIKeyJEOIUZKTELCGQE-UHFFFAOYSA-N
MW258.36 g/mol
LogP-1.44
Rot. Bonds8

About N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide

N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide (PubChem CID 63190802) has the molecular formula C7H18N2O4S2 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide
PubChem CID63190802
Molecular FormulaC7H18N2O4S2
Molecular Weight258.36 g/mol
Exact Mass258.07
IUPAC NameN-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)CCCNCCNS(C)(=O)=O
InChIInChI=1S/C7H18N2O4S2/c1-14(10,11)7-3-4-8-5-6-9-15(2,12)13/h8-9H,3-7H2,1-2H3
InChIKeyJEOIUZKTELCGQE-UHFFFAOYSA-N
XLogP-1.44
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide (CID 63190802) is N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide is CS(=O)(=O)CCCNCCNS(C)(=O)=O.
What is the InChIKey of N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide?
The InChIKey is JEOIUZKTELCGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O4S2/c1-14(10,11)7-3-4-8-5-6-9-15(2,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide?
N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide has a molecular weight of 258.36 g/mol, XLogP of -1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 63190802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).