N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide

C13H19NO3S — CID 81122084

IUPACN-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H19NO3S/c1-17-10-5-8-18-11(10)12(16)14-13(9-15)6-3-2-4-7-13/h5,8,15H,2-4,6-7,9H2,1H3,(H,14,16)
InChIKeyKKWNZUIBVZFTSK-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.18
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide (PubChem CID 81122084) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide
PubChem CID81122084
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H19NO3S/c1-17-10-5-8-18-11(10)12(16)14-13(9-15)6-3-2-4-7-13/h5,8,15H,2-4,6-7,9H2,1H3,(H,14,16)
InChIKeyKKWNZUIBVZFTSK-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide
CID 112699709
3-amino-N-[1-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
CID 62526740
N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide
CID 62519290
3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 115878426
(3S)-3-[(3-methoxythiophene-2-carbonyl)amino]thiolane-3-carboxylic acid
CID 124596091
4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 81118011
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide
CID 62516961
[1-[(3-methoxythiophen-2-yl)methylamino]cyclopentyl]methanol
CID 115711097
N-[1-(hydroxymethyl)cyclobutyl]-2-methoxybenzamide
CID 113344829
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methoxythiophene-2-carboxamide
CID 115456415
N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 62520559
N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide (CID 81122084) is N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide?
The InChIKey is KKWNZUIBVZFTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-17-10-5-8-18-11(10)12(16)14-13(9-15)6-3-2-4-7-13/h5,8,15H,2-4,6-7,9H2,1H3,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81122084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).