N-[(1S)-cyclohex-2-en-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

C12H20N2OS — CID 142666563

IUPACN-[(1S)-cyclohex-2-en-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)SCNC1C(=O)N[C@@H]1C=CCCC1
InChIInChI=1S/C12H20N2OS/c1-12(2)10(13-8-16-12)11(15)14-9-6-4-3-5-7-9/h4,6,9-10,13H,3,5,7-8H2,1-2H3,(H,14,15)/t9-,10?/m1/s1
InChIKeyYVSMYMWIQOMXGO-YHMJZVADSA-N
MW240.37 g/mol
LogP1.65
Rot. Bonds2

About N-[(1S)-cyclohex-2-en-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

N-[(1S)-cyclohex-2-en-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 142666563) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[(1S)-cyclohex-2-en-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-cyclohex-2-en-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID142666563
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(1S)-cyclohex-2-en-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)SCNC1C(=O)N[C@@H]1C=CCCC1
InChIInChI=1S/C12H20N2OS/c1-12(2)10(13-8-16-12)11(15)14-9-6-4-3-5-7-9/h4,6,9-10,13H,3,5,7-8H2,1-2H3,(H,14,15)/t9-,10?/m1/s1
InChIKeyYVSMYMWIQOMXGO-YHMJZVADSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-cyclohex-2-en-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(1S)-cyclohex-2-en-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide (CID 142666563) is N-[(1S)-cyclohex-2-en-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-cyclohex-2-en-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(1S)-cyclohex-2-en-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide is CC1(C)SCNC1C(=O)N[C@@H]1C=CCCC1.
What is the InChIKey of N-[(1S)-cyclohex-2-en-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is YVSMYMWIQOMXGO-YHMJZVADSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-12(2)10(13-8-16-12)11(15)14-9-6-4-3-5-7-9/h4,6,9-10,13H,3,5,7-8H2,1-2H3,(H,14,15)/t9-,10?/m1/s1.
What are the key properties of N-[(1S)-cyclohex-2-en-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?
N-[(1S)-cyclohex-2-en-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-cyclohex-2-en-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 142666563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).