N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylmethanesulfonamide

C10H23NO4S2 — CID 102912943

IUPACN-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylmethanesulfonamide
SMILESCC(C)C(CNS(=O)(=O)CS(C)(=O)=O)C(C)C
InChIInChI=1S/C10H23NO4S2/c1-8(2)10(9(3)4)6-11-17(14,15)7-16(5,12)13/h8-11H,6-7H2,1-5H3
InChIKeyQSWJIYGECIWXNP-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.84
Rot. Bonds7

About N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylmethanesulfonamide

N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylmethanesulfonamide (PubChem CID 102912943) has the molecular formula C10H23NO4S2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylmethanesulfonamide
PubChem CID102912943
Molecular FormulaC10H23NO4S2
Molecular Weight285.43 g/mol
Exact Mass285.11
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylmethanesulfonamide
SMILESCC(C)C(CNS(=O)(=O)CS(C)(=O)=O)C(C)C
InChIInChI=1S/C10H23NO4S2/c1-8(2)10(9(3)4)6-11-17(14,15)7-16(5,12)13/h8-11H,6-7H2,1-5H3
InChIKeyQSWJIYGECIWXNP-UHFFFAOYSA-N
XLogP0.84
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylmethanesulfonamide (CID 102912943) is N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylmethanesulfonamide is CC(C)C(CNS(=O)(=O)CS(C)(=O)=O)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylmethanesulfonamide?
The InChIKey is QSWJIYGECIWXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S2/c1-8(2)10(9(3)4)6-11-17(14,15)7-16(5,12)13/h8-11H,6-7H2,1-5H3.
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylmethanesulfonamide?
N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylmethanesulfonamide has a molecular weight of 285.43 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 102912943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).