4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol

C15H19NOS2 — CID 43761720

IUPAC4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCC(NC(c2cccs2)c2cccs2)CC1
InChIInChI=1S/C15H19NOS2/c17-12-7-5-11(6-8-12)16-15(13-3-1-9-18-13)14-4-2-10-19-14/h1-4,9-12,15-17H,5-8H2
InChIKeyXQSGHBYZKJTGSH-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.79
Rot. Bonds4

About 4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol

4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol (PubChem CID 43761720) has the molecular formula C15H19NOS2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol
PubChem CID43761720
Molecular FormulaC15H19NOS2
Molecular Weight293.46 g/mol
Exact Mass293.09
IUPAC Name4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCC(NC(c2cccs2)c2cccs2)CC1
InChIInChI=1S/C15H19NOS2/c17-12-7-5-11(6-8-12)16-15(13-3-1-9-18-13)14-4-2-10-19-14/h1-4,9-12,15-17H,5-8H2
InChIKeyXQSGHBYZKJTGSH-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 43193909
N-(dithiophen-2-ylmethyl)cyclopentanamine
CID 43756506
N-(dithiophen-2-ylmethyl)thian-4-amine
CID 115641775
N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64733837
4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol
CID 103904586
3-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]cyclohexan-1-ol
CID 43792331
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine
CID 43224396
4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
N-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine
CID 139791714
4-tert-butyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 28544170

Frequently Asked Questions

What is the IUPAC name of 4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol?
The IUPAC name of 4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol (CID 43761720) is 4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol is OC1CCC(NC(c2cccs2)c2cccs2)CC1.
What is the InChIKey of 4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol?
The InChIKey is XQSGHBYZKJTGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS2/c17-12-7-5-11(6-8-12)16-15(13-3-1-9-18-13)14-4-2-10-19-14/h1-4,9-12,15-17H,5-8H2.
What are the key properties of 4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol?
4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol has a molecular weight of 293.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 43761720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).