(3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide

C11H21NO4S2 — CID 7102173

IUPAC(3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO4S2/c1-12(10-5-3-2-4-6-10)18(15,16)11-7-8-17(13,14)9-11/h10-11H,2-9H2,1H3/t11-/m0/s1
InChIKeyYBLZTKIPHRZLLU-NSHDSACASA-N
MW295.43 g/mol
LogP0.77
Rot. Bonds3

About (3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide

(3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide (PubChem CID 7102173) has the molecular formula C11H21NO4S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound Name(3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide
PubChem CID7102173
Molecular FormulaC11H21NO4S2
Molecular Weight295.43 g/mol
Exact Mass295.09
IUPAC Name(3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO4S2/c1-12(10-5-3-2-4-6-10)18(15,16)11-7-8-17(13,14)9-11/h10-11H,2-9H2,1H3/t11-/m0/s1
InChIKeyYBLZTKIPHRZLLU-NSHDSACASA-N
XLogP0.77
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of (3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide (CID 7102173) is (3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for (3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for (3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide is CN(C1CCCCC1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is YBLZTKIPHRZLLU-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO4S2/c1-12(10-5-3-2-4-6-10)18(15,16)11-7-8-17(13,14)9-11/h10-11H,2-9H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide?
(3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 295.43 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 7102173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).