1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol

C13H21NOS — CID 62840169

IUPAC1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
SMILESCC(NCC1(O)CCCCC1)c1ccsc1
InChIInChI=1S/C13H21NOS/c1-11(12-5-8-16-9-12)14-10-13(15)6-3-2-4-7-13/h5,8-9,11,14-15H,2-4,6-7,10H2,1H3
InChIKeyZOHAYUKJINSFPU-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.09
Rot. Bonds4

About 1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol

1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol (PubChem CID 62840169) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
PubChem CID62840169
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
SMILESCC(NCC1(O)CCCCC1)c1ccsc1
InChIInChI=1S/C13H21NOS/c1-11(12-5-8-16-9-12)14-10-13(15)6-3-2-4-7-13/h5,8-9,11,14-15H,2-4,6-7,10H2,1H3
InChIKeyZOHAYUKJINSFPU-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 65116695
4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol
CID 81130842
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 54952846
1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol
CID 81359958
1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924
1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea
CID 111509669
1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105631
N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 115893048
1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122937
1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol
CID 81405097

Frequently Asked Questions

What is the IUPAC name of 1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol (CID 62840169) is 1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol is CC(NCC1(O)CCCCC1)c1ccsc1.
What is the InChIKey of 1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol?
The InChIKey is ZOHAYUKJINSFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-11(12-5-8-16-9-12)14-10-13(15)6-3-2-4-7-13/h5,8-9,11,14-15H,2-4,6-7,10H2,1H3.
What are the key properties of 1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol?
1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 62840169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).