N-methylspiro[2.5]octane-6-sulfonamide

C9H17NO2S — CID 165445878

IUPACN-methylspiro[2.5]octane-6-sulfonamide
SMILESCNS(=O)(=O)C1CCC2(CC1)CC2
InChIInChI=1S/C9H17NO2S/c1-10-13(11,12)8-2-4-9(5-3-8)6-7-9/h8,10H,2-7H2,1H3
InChIKeyRJKSWWRVANUOTQ-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.26
Rot. Bonds2

About N-methylspiro[2.5]octane-6-sulfonamide

N-methylspiro[2.5]octane-6-sulfonamide (PubChem CID 165445878) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-methylspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound NameN-methylspiro[2.5]octane-6-sulfonamide
PubChem CID165445878
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-methylspiro[2.5]octane-6-sulfonamide
SMILESCNS(=O)(=O)C1CCC2(CC1)CC2
InChIInChI=1S/C9H17NO2S/c1-10-13(11,12)8-2-4-9(5-3-8)6-7-9/h8,10H,2-7H2,1H3
InChIKeyRJKSWWRVANUOTQ-UHFFFAOYSA-N
XLogP1.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylspiro[2.5]octane-6-sulfonamide?
The IUPAC name of N-methylspiro[2.5]octane-6-sulfonamide (CID 165445878) is N-methylspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for N-methylspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for N-methylspiro[2.5]octane-6-sulfonamide is CNS(=O)(=O)C1CCC2(CC1)CC2.
What is the InChIKey of N-methylspiro[2.5]octane-6-sulfonamide?
The InChIKey is RJKSWWRVANUOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-10-13(11,12)8-2-4-9(5-3-8)6-7-9/h8,10H,2-7H2,1H3.
What are the key properties of N-methylspiro[2.5]octane-6-sulfonamide?
N-methylspiro[2.5]octane-6-sulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 165445878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).