N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide

C11H19NO4S — CID 43392962

IUPACN-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO4S/c13-10-3-1-9(2-4-10)12-11(14)8-5-6-17(15,16)7-8/h8-10,13H,1-7H2,(H,12,14)
InChIKeyWSLSZFYPXBDNPF-UHFFFAOYSA-N
MW261.34 g/mol
LogP-0.16
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide

N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 43392962) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID43392962
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC NameN-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19NO4S/c13-10-3-1-9(2-4-10)12-11(14)8-5-6-17(15,16)7-8/h8-10,13H,1-7H2,(H,12,14)
InChIKeyWSLSZFYPXBDNPF-UHFFFAOYSA-N
XLogP-0.16
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,1-dioxothiolane-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032305
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1,1-dioxothiolane-3-carboxamide
CID 64912129
N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide
CID 106443963
N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108526860
(3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide
CID 9092671
N-cyano-1,1-dioxothiolane-3-carboxamide
CID 79195189
N-(2-aminocycloheptyl)-1,1-dioxothiolane-3-carboxamide
CID 63257894
1-(cyclopropanecarbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 43389164
N-[(1R,3R)-3-aminocyclopentyl]-1,1-dioxothiane-4-carboxamide
CID 56742780
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1,1-dioxothiolane-3-carboxamide
CID 66213275
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide
CID 75407298
1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-3-yl)thiolane-3-carboxamide
CID 64911727

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide (CID 43392962) is N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide is O=C(NC1CCC(O)CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is WSLSZFYPXBDNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c13-10-3-1-9(2-4-10)12-11(14)8-5-6-17(15,16)7-8/h8-10,13H,1-7H2,(H,12,14).
What are the key properties of N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide?
N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 261.34 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 43392962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).