[1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol

C12H19NOS — CID 81419673

IUPAC[1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNc2ccsc2)CCCCC1
InChIInChI=1S/C12H19NOS/c14-10-12(5-2-1-3-6-12)9-13-11-4-7-15-8-11/h4,7-8,13-14H,1-3,5-6,9-10H2
InChIKeyZGXLCPAIXYGXFK-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.10
Rot. Bonds4

About [1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol

[1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol (PubChem CID 81419673) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is [1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol
PubChem CID81419673
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name[1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNc2ccsc2)CCCCC1
InChIInChI=1S/C12H19NOS/c14-10-12(5-2-1-3-6-12)9-13-11-4-7-15-8-11/h4,7-8,13-14H,1-3,5-6,9-10H2
InChIKeyZGXLCPAIXYGXFK-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
[1-[(4-iodoanilino)methyl]cyclohexyl]methanol
CID 81412401
[1-(thiophen-3-ylmethyl)cyclopentyl]methanol
CID 66025022
[1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol
CID 115377142
[1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol
CID 81411087
[1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol
CID 81410870
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide
CID 81413347
1-[(thiophen-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436981
N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide
CID 81400351
2-[4-[[1-(hydroxymethyl)cyclohexyl]methylamino]phenyl]-2-methylpropanenitrile
CID 81400328
[1-[(4-pentylanilino)methyl]cyclohexyl]methanol
CID 81400832
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid
CID 102823234

Frequently Asked Questions

What is the IUPAC name of [1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol (CID 81419673) is [1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol is OCC1(CNc2ccsc2)CCCCC1.
What is the InChIKey of [1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol?
The InChIKey is ZGXLCPAIXYGXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c14-10-12(5-2-1-3-6-12)9-13-11-4-7-15-8-11/h4,7-8,13-14H,1-3,5-6,9-10H2.
What are the key properties of [1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol?
[1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol has a molecular weight of 225.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81419673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).