N-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide

C11H21NO5S2 — CID 103270277

IUPACN-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCC2CCC(O)C2)CC1
InChIInChI=1S/C11H21NO5S2/c13-10-2-1-9(7-10)8-12-19(16,17)11-3-5-18(14,15)6-4-11/h9-13H,1-8H2
InChIKeyKXPLJEDRCBPKLX-UHFFFAOYSA-N
MW311.43 g/mol
LogP-0.36
Rot. Bonds4

About N-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide

N-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide (PubChem CID 103270277) has the molecular formula C11H21NO5S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide
PubChem CID103270277
Molecular FormulaC11H21NO5S2
Molecular Weight311.43 g/mol
Exact Mass311.09
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCC2CCC(O)C2)CC1
InChIInChI=1S/C11H21NO5S2/c13-10-2-1-9(7-10)8-12-19(16,17)11-3-5-18(14,15)6-4-11/h9-13H,1-8H2
InChIKeyKXPLJEDRCBPKLX-UHFFFAOYSA-N
XLogP-0.36
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]cyclopentanesulfonamide
CID 103270191
N-[(4-chlorocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide
CID 106136195
N-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide
CID 103835779
N-ethyl-1,1-dioxothiane-4-sulfonamide
CID 62086014
N-(2-bromoethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084947
N-[(2R)-2-hydroxypropyl]-1,1-dioxothiane-4-sulfonamide
CID 83030738
N-(cyanomethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084754
1,1-dioxo-N-prop-2-enylthiane-4-sulfonamide
CID 62734059
N-[(3-hydroxycyclopentyl)methyl]pyrrolidine-1-sulfonamide
CID 103270314
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,1-dioxothiane-4-sulfonamide
CID 103834756
N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 64913898
1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiane-4-sulfonamide
CID 103833962

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide (CID 103270277) is N-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide is O=S1(=O)CCC(S(=O)(=O)NCC2CCC(O)C2)CC1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide?
The InChIKey is KXPLJEDRCBPKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S2/c13-10-2-1-9(7-10)8-12-19(16,17)11-3-5-18(14,15)6-4-11/h9-13H,1-8H2.
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide?
N-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 103270277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).