N-cyclopentyl-2-methylsulfonylethanesulfonamide

C8H17NO4S2 — CID 64591192

IUPACN-cyclopentyl-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC1CCCC1
InChIInChI=1S/C8H17NO4S2/c1-14(10,11)6-7-15(12,13)9-8-4-2-3-5-8/h8-9H,2-7H2,1H3
InChIKeyMDKBRASZLHRZJK-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.11
Rot. Bonds5

About N-cyclopentyl-2-methylsulfonylethanesulfonamide

N-cyclopentyl-2-methylsulfonylethanesulfonamide (PubChem CID 64591192) has the molecular formula C8H17NO4S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-cyclopentyl-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methylsulfonylethanesulfonamide
PubChem CID64591192
Molecular FormulaC8H17NO4S2
Molecular Weight255.36 g/mol
Exact Mass255.06
IUPAC NameN-cyclopentyl-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC1CCCC1
InChIInChI=1S/C8H17NO4S2/c1-14(10,11)6-7-15(12,13)9-8-4-2-3-5-8/h8-9H,2-7H2,1H3
InChIKeyMDKBRASZLHRZJK-UHFFFAOYSA-N
XLogP-0.11
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-cyclopentyl-2-methylsulfonylethanesulfonamide (CID 64591192) is N-cyclopentyl-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-cyclopentyl-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methylsulfonylethanesulfonamide?
The InChIKey is MDKBRASZLHRZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S2/c1-14(10,11)6-7-15(12,13)9-8-4-2-3-5-8/h8-9H,2-7H2,1H3.
What are the key properties of N-cyclopentyl-2-methylsulfonylethanesulfonamide?
N-cyclopentyl-2-methylsulfonylethanesulfonamide has a molecular weight of 255.36 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 64591192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).