N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine

C15H19NS3 — CID 107295205

IUPACN-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
SMILESc1csc(CC(NCC2CCSC2)c2cccs2)c1
InChIInChI=1S/C15H19NS3/c1-3-13(18-6-1)9-14(15-4-2-7-19-15)16-10-12-5-8-17-11-12/h1-4,6-7,12,14,16H,5,8-11H2
InChIKeyBHCHIMALSHYOLR-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.44
Rot. Bonds6

About N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine

N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine (PubChem CID 107295205) has the molecular formula C15H19NS3 and a molecular weight of 309.52 g/mol. Its IUPAC name is N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
PubChem CID107295205
Molecular FormulaC15H19NS3
Molecular Weight309.52 g/mol
Exact Mass309.07
IUPAC NameN-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
SMILESc1csc(CC(NCC2CCSC2)c2cccs2)c1
InChIInChI=1S/C15H19NS3/c1-3-13(18-6-1)9-14(15-4-2-7-19-15)16-10-12-5-8-17-11-12/h1-4,6-7,12,14,16H,5,8-11H2
InChIKeyBHCHIMALSHYOLR-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine
CID 103930732
1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol
CID 63294884
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine
CID 63989311
N-(1,2-dithiophen-2-ylethyl)cyclohexanamine
CID 43756050
(2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol
CID 107166604
1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine
CID 105134176
N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide
CID 79378036
1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol
CID 65105159
N-[(4-bromophenyl)methyl]-1,2-dithiophen-2-ylethanamine
CID 60781438
N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine
CID 81391508
N-(1-cyclohexylethyl)-1,2-dithiophen-2-ylethanamine
CID 63478173

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine?
The IUPAC name of N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine (CID 107295205) is N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine.
What is the SMILES notation for N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine?
The canonical SMILES for N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine is c1csc(CC(NCC2CCSC2)c2cccs2)c1.
What is the InChIKey of N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine?
The InChIKey is BHCHIMALSHYOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS3/c1-3-13(18-6-1)9-14(15-4-2-7-19-15)16-10-12-5-8-17-11-12/h1-4,6-7,12,14,16H,5,8-11H2.
What are the key properties of N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine?
N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine has a molecular weight of 309.52 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine is sourced from PubChem (CID 107295205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).