N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide

C10H19NO5S2 — CID 65113372

IUPACN-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCC2(O)CCCC2)C1
InChIInChI=1S/C10H19NO5S2/c12-10(4-1-2-5-10)8-11-18(15,16)9-3-6-17(13,14)7-9/h9,11-12H,1-8H2
InChIKeyRWZTVDMEYZBJJR-UHFFFAOYSA-N
MW297.40 g/mol
LogP-0.60
Rot. Bonds4

About N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide

N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide (PubChem CID 65113372) has the molecular formula C10H19NO5S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide
PubChem CID65113372
Molecular FormulaC10H19NO5S2
Molecular Weight297.40 g/mol
Exact Mass297.07
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCC2(O)CCCC2)C1
InChIInChI=1S/C10H19NO5S2/c12-10(4-1-2-5-10)8-11-18(15,16)9-3-6-17(13,14)7-9/h9,11-12H,1-8H2
InChIKeyRWZTVDMEYZBJJR-UHFFFAOYSA-N
XLogP-0.60
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide (CID 65113372) is N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)NCC2(O)CCCC2)C1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is RWZTVDMEYZBJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S2/c12-10(4-1-2-5-10)8-11-18(15,16)9-3-6-17(13,14)7-9/h9,11-12H,1-8H2.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide?
N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 65113372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).