N-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dioxothiolane-3-sulfonamide

C9H18N2O5S2 — CID 43597157

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dioxothiolane-3-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O5S2/c1-16-9-5-10-4-8(9)11-18(14,15)7-2-3-17(12,13)6-7/h7-11H,2-6H2,1H3/t7?,8?,9-/m0/s1
InChIKeyKYRQGXLXZZKUTI-HACHORDNSA-N
MW298.39 g/mol
LogP-1.92
Rot. Bonds4

About N-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dioxothiolane-3-sulfonamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dioxothiolane-3-sulfonamide (PubChem CID 43597157) has the molecular formula C9H18N2O5S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dioxothiolane-3-sulfonamide
PubChem CID43597157
Molecular FormulaC9H18N2O5S2
Molecular Weight298.39 g/mol
Exact Mass298.07
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dioxothiolane-3-sulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H18N2O5S2/c1-16-9-5-10-4-8(9)11-18(14,15)7-2-3-17(12,13)6-7/h7-11H,2-6H2,1H3/t7?,8?,9-/m0/s1
InChIKeyKYRQGXLXZZKUTI-HACHORDNSA-N
XLogP-1.92
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dioxothiolane-3-sulfonamide (CID 43597157) is N-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dioxothiolane-3-sulfonamide is CO[C@H]1CNCC1NS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is KYRQGXLXZZKUTI-HACHORDNSA-N. The full InChI is InChI=1S/C9H18N2O5S2/c1-16-9-5-10-4-8(9)11-18(14,15)7-2-3-17(12,13)6-7/h7-11H,2-6H2,1H3/t7?,8?,9-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dioxothiolane-3-sulfonamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of -1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 43597157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).