1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol

C16H21NOS2 — CID 65105159

IUPAC1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNC(Cc2cccs2)c2cccs2)CCCC1
InChIInChI=1S/C16H21NOS2/c18-16(7-1-2-8-16)12-17-14(15-6-4-10-20-15)11-13-5-3-9-19-13/h3-6,9-10,14,17-18H,1-2,7-8,11-12H2
InChIKeyHNADTXUUYCPZEG-UHFFFAOYSA-N
MW307.48 g/mol
LogP3.99
Rot. Bonds6

About 1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol

1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol (PubChem CID 65105159) has the molecular formula C16H21NOS2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol
PubChem CID65105159
Molecular FormulaC16H21NOS2
Molecular Weight307.48 g/mol
Exact Mass307.11
IUPAC Name1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNC(Cc2cccs2)c2cccs2)CCCC1
InChIInChI=1S/C16H21NOS2/c18-16(7-1-2-8-16)12-17-14(15-6-4-10-20-15)11-13-5-3-9-19-13/h3-6,9-10,14,17-18H,1-2,7-8,11-12H2
InChIKeyHNADTXUUYCPZEG-UHFFFAOYSA-N
XLogP3.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(thiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934542
1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol
CID 115692751
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096
1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566
1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol
CID 60900091
1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol
CID 63294884
2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol
CID 43771514
N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide
CID 79378036
N-(1,2-dithiophen-2-ylethyl)cyclohexanamine
CID 43756050
1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol
CID 115719311
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopentyl]methanol
CID 115358763

Frequently Asked Questions

What is the IUPAC name of 1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol (CID 65105159) is 1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol is OC1(CNC(Cc2cccs2)c2cccs2)CCCC1.
What is the InChIKey of 1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol?
The InChIKey is HNADTXUUYCPZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS2/c18-16(7-1-2-8-16)12-17-14(15-6-4-10-20-15)11-13-5-3-9-19-13/h3-6,9-10,14,17-18H,1-2,7-8,11-12H2.
What are the key properties of 1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol?
1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol has a molecular weight of 307.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65105159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).