5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide

C14H22N2O2S — CID 112701033

IUPAC5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNCC2(CO)CCCCC2)c1
InChIInChI=1S/C14H22N2O2S/c15-13(18)11-6-12(19-8-11)7-16-9-14(10-17)4-2-1-3-5-14/h6,8,16-17H,1-5,7,9-10H2,(H2,15,18)
InChIKeySPVXRWUFNHOBJY-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.88
Rot. Bonds6

About 5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide

5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide (PubChem CID 112701033) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide
PubChem CID112701033
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNCC2(CO)CCCCC2)c1
InChIInChI=1S/C14H22N2O2S/c15-13(18)11-6-12(19-8-11)7-16-9-14(10-17)4-2-1-3-5-14/h6,8,16-17H,1-5,7,9-10H2,(H2,15,18)
InChIKeySPVXRWUFNHOBJY-UHFFFAOYSA-N
XLogP1.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1-ethylcyclopentyl)methylamino]methyl]thiophene-3-carboxamide
CID 103802126
[1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358901
5-[[(1-cyclopropylcyclopropyl)methylamino]methyl]thiophene-3-carboxamide
CID 113321738
5-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]thiophene-3-carboxylic acid
CID 114756041
3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide
CID 115358989
5-[[(1-methylcyclopropyl)amino]methyl]thiophene-3-carboxamide
CID 115735684
5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide
CID 79614139
5-[[(4-methyloxan-4-yl)amino]methyl]thiophene-3-carboxamide
CID 115758077
5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 79613545
5-[(3,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 115735473
[1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 102837247
5-(aminomethyl)thiophene-3-carboxamide;hydrochloride
CID 163226135

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide (CID 112701033) is 5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNCC2(CO)CCCCC2)c1.
What is the InChIKey of 5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide?
The InChIKey is SPVXRWUFNHOBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c15-13(18)11-6-12(19-8-11)7-16-9-14(10-17)4-2-1-3-5-14/h6,8,16-17H,1-5,7,9-10H2,(H2,15,18).
What are the key properties of 5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide?
5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 112701033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).