3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol

C16H21NOS2 — CID 103917562

IUPAC3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNC(c2cccs2)c2cccs2)C1
InChIInChI=1S/C16H21NOS2/c18-13-5-1-4-12(10-13)11-17-16(14-6-2-8-19-14)15-7-3-9-20-15/h2-3,6-9,12-13,16-18H,1,4-5,10-11H2
InChIKeyYQSFCDKHYRSSDW-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.04
Rot. Bonds5

About 3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol

3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 103917562) has the molecular formula C16H21NOS2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID103917562
Molecular FormulaC16H21NOS2
Molecular Weight307.48 g/mol
Exact Mass307.11
IUPAC Name3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNC(c2cccs2)c2cccs2)C1
InChIInChI=1S/C16H21NOS2/c18-13-5-1-4-12(10-13)11-17-16(14-6-2-8-19-14)15-7-3-9-20-15/h2-3,6-9,12-13,16-18H,1,4-5,10-11H2
InChIKeyYQSFCDKHYRSSDW-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 106124333
2-[1-[(3-hydroxycyclohexyl)methylamino]ethyl]benzene-1,3-diol
CID 106124250
N-[(3-hydroxycyclohexyl)methyl]-3-thiophen-2-ylpropanamide
CID 111460498
N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 43775172
3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785821
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-dithiophen-2-ylmethanamine
CID 63689796
3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785848
3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol
CID 43792331
N-(cyclohexylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225929
4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43761720
2-cyclobutyl-1-thiophen-2-ylethanol
CID 65456950
3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol
CID 103785891

Frequently Asked Questions

What is the IUPAC name of 3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol (CID 103917562) is 3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol is OC1CCCC(CNC(c2cccs2)c2cccs2)C1.
What is the InChIKey of 3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is YQSFCDKHYRSSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS2/c18-13-5-1-4-12(10-13)11-17-16(14-6-2-8-19-14)15-7-3-9-20-15/h2-3,6-9,12-13,16-18H,1,4-5,10-11H2.
What are the key properties of 3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol?
3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 307.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dithiophen-2-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 103917562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).