N-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide

C12H22N2O3S — CID 89233950

IUPACN-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide
SMILESCCN1CC[C@@H](C2(NC=O)CCCCC2)S1(=O)=O
InChIInChI=1S/C12H22N2O3S/c1-2-14-9-6-11(18(14,16)17)12(13-10-15)7-4-3-5-8-12/h10-11H,2-9H2,1H3,(H,13,15)/t11-/m0/s1
InChIKeyUMPKUZYWDKXRQC-NSHDSACASA-N
MW274.39 g/mol
LogP0.86
Rot. Bonds4

About N-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide

N-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide (PubChem CID 89233950) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide.

Molecular Properties

Compound NameN-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide
PubChem CID89233950
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide
SMILESCCN1CC[C@@H](C2(NC=O)CCCCC2)S1(=O)=O
InChIInChI=1S/C12H22N2O3S/c1-2-14-9-6-11(18(14,16)17)12(13-10-15)7-4-3-5-8-12/h10-11H,2-9H2,1H3,(H,13,15)/t11-/m0/s1
InChIKeyUMPKUZYWDKXRQC-NSHDSACASA-N
XLogP0.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide?
The IUPAC name of N-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide (CID 89233950) is N-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide.
What is the SMILES notation for N-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide?
The canonical SMILES for N-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide is CCN1CC[C@@H](C2(NC=O)CCCCC2)S1(=O)=O.
What is the InChIKey of N-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide?
The InChIKey is UMPKUZYWDKXRQC-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-2-14-9-6-11(18(14,16)17)12(13-10-15)7-4-3-5-8-12/h10-11H,2-9H2,1H3,(H,13,15)/t11-/m0/s1.
What are the key properties of N-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide?
N-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide has a molecular weight of 274.39 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5S)-2-ethyl-1,1-dioxo-1,2-thiazolidin-5-yl]cyclohexyl]formamide is sourced from PubChem (CID 89233950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).