N-[2-(methanesulfonamidomethyl)butyl]methanesulfonamide

C7H18N2O4S2 — CID 143721565

IUPACN-[2-(methanesulfonamidomethyl)butyl]methanesulfonamide
SMILESCCC(CNS(C)(=O)=O)CNS(C)(=O)=O
InChIInChI=1S/C7H18N2O4S2/c1-4-7(5-8-14(2,10)11)6-9-15(3,12)13/h7-9H,4-6H2,1-3H3
InChIKeyAEKAYFKSWCHXAV-UHFFFAOYSA-N
MW258.36 g/mol
LogP-0.89
Rot. Bonds7

About N-[2-(methanesulfonamidomethyl)butyl]methanesulfonamide

N-[2-(methanesulfonamidomethyl)butyl]methanesulfonamide (PubChem CID 143721565) has the molecular formula C7H18N2O4S2 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[2-(methanesulfonamidomethyl)butyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamidomethyl)butyl]methanesulfonamide
PubChem CID143721565
Molecular FormulaC7H18N2O4S2
Molecular Weight258.36 g/mol
Exact Mass258.07
IUPAC NameN-[2-(methanesulfonamidomethyl)butyl]methanesulfonamide
SMILESCCC(CNS(C)(=O)=O)CNS(C)(=O)=O
InChIInChI=1S/C7H18N2O4S2/c1-4-7(5-8-14(2,10)11)6-9-15(3,12)13/h7-9H,4-6H2,1-3H3
InChIKeyAEKAYFKSWCHXAV-UHFFFAOYSA-N
XLogP-0.89
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamidomethyl)butyl]methanesulfonamide?
The IUPAC name of N-[2-(methanesulfonamidomethyl)butyl]methanesulfonamide (CID 143721565) is N-[2-(methanesulfonamidomethyl)butyl]methanesulfonamide.
What is the SMILES notation for N-[2-(methanesulfonamidomethyl)butyl]methanesulfonamide?
The canonical SMILES for N-[2-(methanesulfonamidomethyl)butyl]methanesulfonamide is CCC(CNS(C)(=O)=O)CNS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamidomethyl)butyl]methanesulfonamide?
The InChIKey is AEKAYFKSWCHXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O4S2/c1-4-7(5-8-14(2,10)11)6-9-15(3,12)13/h7-9H,4-6H2,1-3H3.
What are the key properties of N-[2-(methanesulfonamidomethyl)butyl]methanesulfonamide?
N-[2-(methanesulfonamidomethyl)butyl]methanesulfonamide has a molecular weight of 258.36 g/mol, XLogP of -0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamidomethyl)butyl]methanesulfonamide is sourced from PubChem (CID 143721565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).