N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide

C11H21NO5S2 — CID 64913898

IUPACN-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCC2CCCCC2O)C1
InChIInChI=1S/C11H21NO5S2/c13-11-4-2-1-3-9(11)7-12-19(16,17)10-5-6-18(14,15)8-10/h9-13H,1-8H2
InChIKeyHBNNTIOHDFPIRC-UHFFFAOYSA-N
MW311.43 g/mol
LogP-0.36
Rot. Bonds4

About N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide

N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide (PubChem CID 64913898) has the molecular formula C11H21NO5S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide
PubChem CID64913898
Molecular FormulaC11H21NO5S2
Molecular Weight311.43 g/mol
Exact Mass311.09
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCC2CCCCC2O)C1
InChIInChI=1S/C11H21NO5S2/c13-11-4-2-1-3-9(11)7-12-19(16,17)10-5-6-18(14,15)8-10/h9-13H,1-8H2
InChIKeyHBNNTIOHDFPIRC-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

1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide
CID 62540052
N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65113372
N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
CID 83058487
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate
CID 43624219
2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol
CID 164656075
(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 7068858
1-hydroxy-2-[(sulfamoylamino)methyl]cyclopentane
CID 112695783
1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312092
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
1,1-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)thiolane-3-sulfonamide
CID 54883587
1,1-dioxo-N-(1H-pyrazol-5-ylmethyl)thiolane-3-sulfonamide
CID 61284724

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide (CID 64913898) is N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)NCC2CCCCC2O)C1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is HBNNTIOHDFPIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S2/c13-11-4-2-1-3-9(11)7-12-19(16,17)10-5-6-18(14,15)8-10/h9-13H,1-8H2.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide?
N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-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-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 64913898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).