N-(4-amino-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide

C8H20N2O4S2 — CID 82842297

IUPACN-(4-amino-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide
SMILESCCC(CCN)CNS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C8H20N2O4S2/c1-3-8(4-5-9)6-10-16(13,14)7-15(2,11)12/h8,10H,3-7,9H2,1-2H3
InChIKeyVZDUVPKPOVTVDU-UHFFFAOYSA-N
MW272.39 g/mol
LogP-0.72
Rot. Bonds8

About N-(4-amino-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide

N-(4-amino-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide (PubChem CID 82842297) has the molecular formula C8H20N2O4S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(4-amino-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide
PubChem CID82842297
Molecular FormulaC8H20N2O4S2
Molecular Weight272.39 g/mol
Exact Mass272.09
IUPAC NameN-(4-amino-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide
SMILESCCC(CCN)CNS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C8H20N2O4S2/c1-3-8(4-5-9)6-10-16(13,14)7-15(2,11)12/h8,10H,3-7,9H2,1-2H3
InChIKeyVZDUVPKPOVTVDU-UHFFFAOYSA-N
XLogP-0.72
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(4-amino-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide (CID 82842297) is N-(4-amino-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(4-amino-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(4-amino-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide is CCC(CCN)CNS(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of N-(4-amino-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide?
The InChIKey is VZDUVPKPOVTVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4S2/c1-3-8(4-5-9)6-10-16(13,14)7-15(2,11)12/h8,10H,3-7,9H2,1-2H3.
What are the key properties of N-(4-amino-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide?
N-(4-amino-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide has a molecular weight of 272.39 g/mol, XLogP of -0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-ethylbutyl)-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82842297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).