N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide

C14H23NOS — CID 110849147

IUPACN-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCSCC1
InChIInChI=1S/C14H23NOS/c16-14(13-7-10-17-11-8-13)15-9-6-12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,15,16)
InChIKeySSTITLMFFHYFDA-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.14
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide (PubChem CID 110849147) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide
PubChem CID110849147
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCSCC1
InChIInChI=1S/C14H23NOS/c16-14(13-7-10-17-11-8-13)15-9-6-12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,15,16)
InChIKeySSTITLMFFHYFDA-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclohexylcyclohexane-1,4-dicarboxamide
CID 109146079
4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109146382
1-(cyclobutanecarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 113003190
1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
1-(2-amino-2-oxoethyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 16909150
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798010
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 75414050
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146208
N-[2-(cyclohexen-1-yl)ethyl]-5-oxothiomorpholine-3-carboxamide
CID 110695427
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146360
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146362

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide (CID 110849147) is N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide is O=C(NCCC1=CCCCC1)C1CCSCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide?
The InChIKey is SSTITLMFFHYFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c16-14(13-7-10-17-11-8-13)15-9-6-12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,15,16).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide has a molecular weight of 253.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide is sourced from PubChem (CID 110849147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).