N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide

C13H19NOS — CID 39966819

IUPACN-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
SMILESCN(Cc1ccsc1)C(=O)C1CCCCC1
InChIInChI=1S/C13H19NOS/c1-14(9-11-7-8-16-10-11)13(15)12-5-3-2-4-6-12/h7-8,10,12H,2-6,9H2,1H3
InChIKeyVWIMBDSIZFOHLL-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.29
Rot. Bonds3

About N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide

N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide (PubChem CID 39966819) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
PubChem CID39966819
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
SMILESCN(Cc1ccsc1)C(=O)C1CCCCC1
InChIInChI=1S/C13H19NOS/c1-14(9-11-7-8-16-10-11)13(15)12-5-3-2-4-6-12/h7-8,10,12H,2-6,9H2,1H3
InChIKeyVWIMBDSIZFOHLL-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
CID 107067215
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide
CID 65019365
(3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 94181767
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide
CID 54939453
2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 61197550
2-(2-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55099979
(3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
CID 35368613
1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-N-methyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide
CID 124852026
tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate
CID 71991539
N-methyl-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide
CID 166309049
N,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 131957753
2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66186907

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide (CID 39966819) is N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide is CN(Cc1ccsc1)C(=O)C1CCCCC1.
What is the InChIKey of N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide?
The InChIKey is VWIMBDSIZFOHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-14(9-11-7-8-16-10-11)13(15)12-5-3-2-4-6-12/h7-8,10,12H,2-6,9H2,1H3.
What are the key properties of N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide?
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide has a molecular weight of 237.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 39966819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).