N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide

C8H20N2O4S2 — CID 63902709

IUPACN-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C8H20N2O4S2/c1-7(2)16(13,14)9-6-8(3,4)10-15(5,11)12/h7,9-10H,6H2,1-5H3
InChIKeyAJTJLCYLKBFQJK-UHFFFAOYSA-N
MW272.39 g/mol
LogP-0.36
Rot. Bonds6

About N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide

N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide (PubChem CID 63902709) has the molecular formula C8H20N2O4S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide
PubChem CID63902709
Molecular FormulaC8H20N2O4S2
Molecular Weight272.39 g/mol
Exact Mass272.09
IUPAC NameN-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C8H20N2O4S2/c1-7(2)16(13,14)9-6-8(3,4)10-15(5,11)12/h7,9-10H,6H2,1-5H3
InChIKeyAJTJLCYLKBFQJK-UHFFFAOYSA-N
XLogP-0.36
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide (CID 63902709) is N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide?
The InChIKey is AJTJLCYLKBFQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4S2/c1-7(2)16(13,14)9-6-8(3,4)10-15(5,11)12/h7,9-10H,6H2,1-5H3.
What are the key properties of N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide?
N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide has a molecular weight of 272.39 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide is sourced from PubChem (CID 63902709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).