N-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide

C9H21NO5S2 — CID 121481114

IUPACN-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide
SMILESCC(C)OC(CCS(C)(=O)=O)CNS(C)(=O)=O
InChIInChI=1S/C9H21NO5S2/c1-8(2)15-9(5-6-16(3,11)12)7-10-17(4,13)14/h8-10H,5-7H2,1-4H3
InChIKeyDUXBQDUFPDEHNG-UHFFFAOYSA-N
MW287.40 g/mol
LogP-0.24
Rot. Bonds8

About N-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide

N-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide (PubChem CID 121481114) has the molecular formula C9H21NO5S2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide
PubChem CID121481114
Molecular FormulaC9H21NO5S2
Molecular Weight287.40 g/mol
Exact Mass287.09
IUPAC NameN-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide
SMILESCC(C)OC(CCS(C)(=O)=O)CNS(C)(=O)=O
InChIInChI=1S/C9H21NO5S2/c1-8(2)15-9(5-6-16(3,11)12)7-10-17(4,13)14/h8-10H,5-7H2,1-4H3
InChIKeyDUXBQDUFPDEHNG-UHFFFAOYSA-N
XLogP-0.24
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide?
The IUPAC name of N-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide (CID 121481114) is N-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide.
What is the SMILES notation for N-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide?
The canonical SMILES for N-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide is CC(C)OC(CCS(C)(=O)=O)CNS(C)(=O)=O.
What is the InChIKey of N-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide?
The InChIKey is DUXBQDUFPDEHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO5S2/c1-8(2)15-9(5-6-16(3,11)12)7-10-17(4,13)14/h8-10H,5-7H2,1-4H3.
What are the key properties of N-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide?
N-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide has a molecular weight of 287.40 g/mol, XLogP of -0.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonyl-2-propan-2-yloxybutyl)methanesulfonamide is sourced from PubChem (CID 121481114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).