N-(thiophen-2-ylmethyl)cyclohexanecarboxamide

C12H17NOS — CID 845077

IUPACN-(thiophen-2-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCc1cccs1)C1CCCCC1
InChIInChI=1S/C12H17NOS/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h4,7-8,10H,1-3,5-6,9H2,(H,13,14)
InChIKeyQTYJPNRSYXQPSF-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.94
Rot. Bonds3

About N-(thiophen-2-ylmethyl)cyclohexanecarboxamide

N-(thiophen-2-ylmethyl)cyclohexanecarboxamide (PubChem CID 845077) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)cyclohexanecarboxamide
PubChem CID845077
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-(thiophen-2-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCc1cccs1)C1CCCCC1
InChIInChI=1S/C12H17NOS/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h4,7-8,10H,1-3,5-6,9H2,(H,13,14)
InChIKeyQTYJPNRSYXQPSF-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)cyclohexanecarboxamide (CID 845077) is N-(thiophen-2-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)cyclohexanecarboxamide is O=C(NCc1cccs1)C1CCCCC1.
What is the InChIKey of N-(thiophen-2-ylmethyl)cyclohexanecarboxamide?
The InChIKey is QTYJPNRSYXQPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h4,7-8,10H,1-3,5-6,9H2,(H,13,14).
What are the key properties of N-(thiophen-2-ylmethyl)cyclohexanecarboxamide?
N-(thiophen-2-ylmethyl)cyclohexanecarboxamide has a molecular weight of 223.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 845077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).