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

C9H19NO4S2 — CID 40512968

IUPAC(3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide
SMILESCCCCN(C)S(=O)(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO4S2/c1-3-4-6-10(2)16(13,14)9-5-7-15(11,12)8-9/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyILYXSQOBYMHQKY-VIFPVBQESA-N
MW269.39 g/mol
LogP0.24
Rot. Bonds5

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

(3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide (PubChem CID 40512968) has the molecular formula C9H19NO4S2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound Name(3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide
PubChem CID40512968
Molecular FormulaC9H19NO4S2
Molecular Weight269.39 g/mol
Exact Mass269.08
IUPAC Name(3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide
SMILESCCCCN(C)S(=O)(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO4S2/c1-3-4-6-10(2)16(13,14)9-5-7-15(11,12)8-9/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyILYXSQOBYMHQKY-VIFPVBQESA-N
XLogP0.24
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of (3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide (CID 40512968) is (3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for (3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for (3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide is CCCCN(C)S(=O)(=O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is ILYXSQOBYMHQKY-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO4S2/c1-3-4-6-10(2)16(13,14)9-5-7-15(11,12)8-9/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide?
(3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 269.39 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-butyl-N-methyl-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 40512968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).