(3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide

C9H19N3O5S2 — CID 99976094

IUPAC(3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CC[C@@H](S(=O)(=O)NCCN2CCN[C@H]2O)C1
InChIInChI=1S/C9H19N3O5S2/c13-9-10-2-4-12(9)5-3-11-19(16,17)8-1-6-18(14,15)7-8/h8-11,13H,1-7H2/t8-,9-/m1/s1
InChIKeyZLCNYFBGXOOYOK-RKDXNWHRSA-N
MW313.40 g/mol
LogP-2.73
Rot. Bonds5

About (3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide

(3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide (PubChem CID 99976094) has the molecular formula C9H19N3O5S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide
PubChem CID99976094
Molecular FormulaC9H19N3O5S2
Molecular Weight313.40 g/mol
Exact Mass313.08
IUPAC Name(3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CC[C@@H](S(=O)(=O)NCCN2CCN[C@H]2O)C1
InChIInChI=1S/C9H19N3O5S2/c13-9-10-2-4-12(9)5-3-11-19(16,17)8-1-6-18(14,15)7-8/h8-11,13H,1-7H2/t8-,9-/m1/s1
InChIKeyZLCNYFBGXOOYOK-RKDXNWHRSA-N
XLogP-2.73
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 5-2.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of (3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide (CID 99976094) is (3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for (3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for (3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide is O=S1(=O)CC[C@@H](S(=O)(=O)NCCN2CCN[C@H]2O)C1.
What is the InChIKey of (3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is ZLCNYFBGXOOYOK-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19N3O5S2/c13-9-10-2-4-12(9)5-3-11-19(16,17)8-1-6-18(14,15)7-8/h8-11,13H,1-7H2/t8-,9-/m1/s1.
What are the key properties of (3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide?
(3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 313.40 g/mol, XLogP of -2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[(2R)-2-hydroxyimidazolidin-1-yl]ethyl]-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 99976094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).