N-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide

C12H23NO5S2 — CID 62084061

IUPACN-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)N(CCO)C2CCCC2)CC1
InChIInChI=1S/C12H23NO5S2/c14-8-7-13(11-3-1-2-4-11)20(17,18)12-5-9-19(15,16)10-6-12/h11-12,14H,1-10H2
InChIKeyPCHOXMLFKVPEEZ-UHFFFAOYSA-N
MW325.45 g/mol
LogP0.13
Rot. Bonds5

About N-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide

N-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 62084061) has the molecular formula C12H23NO5S2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide
PubChem CID62084061
Molecular FormulaC12H23NO5S2
Molecular Weight325.45 g/mol
Exact Mass325.10
IUPAC NameN-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)N(CCO)C2CCCC2)CC1
InChIInChI=1S/C12H23NO5S2/c14-8-7-13(11-3-1-2-4-11)20(17,18)12-5-9-19(15,16)10-6-12/h11-12,14H,1-10H2
InChIKeyPCHOXMLFKVPEEZ-UHFFFAOYSA-N
XLogP0.13
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide (CID 62084061) is N-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide is O=S1(=O)CCC(S(=O)(=O)N(CCO)C2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is PCHOXMLFKVPEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5S2/c14-8-7-13(11-3-1-2-4-11)20(17,18)12-5-9-19(15,16)10-6-12/h11-12,14H,1-10H2.
What are the key properties of N-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide?
N-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 325.45 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 62084061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).