(3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide

C10H21NO4S2 — CID 40840691

IUPAC(3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide
SMILESCCCCCN(C)S(=O)(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO4S2/c1-3-4-5-7-11(2)17(14,15)10-6-8-16(12,13)9-10/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyBGEGIMMFZAIEQW-JTQLQIEISA-N
MW283.41 g/mol
LogP0.63
Rot. Bonds6

About (3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide

(3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide (PubChem CID 40840691) has the molecular formula C10H21NO4S2 and a molecular weight of 283.41 g/mol. Its IUPAC name is (3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide.

Molecular Properties

Compound Name(3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide
PubChem CID40840691
Molecular FormulaC10H21NO4S2
Molecular Weight283.41 g/mol
Exact Mass283.09
IUPAC Name(3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide
SMILESCCCCCN(C)S(=O)(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO4S2/c1-3-4-5-7-11(2)17(14,15)10-6-8-16(12,13)9-10/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyBGEGIMMFZAIEQW-JTQLQIEISA-N
XLogP0.63
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide?
The IUPAC name of (3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide (CID 40840691) is (3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide.
What is the SMILES notation for (3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide?
The canonical SMILES for (3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide is CCCCCN(C)S(=O)(=O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide?
The InChIKey is BGEGIMMFZAIEQW-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO4S2/c1-3-4-5-7-11(2)17(14,15)10-6-8-16(12,13)9-10/h10H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide?
(3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide has a molecular weight of 283.41 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1,1-dioxo-N-pentylthiolane-3-sulfonamide is sourced from PubChem (CID 40840691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).