N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine

C14H17NS3 — CID 103930732

IUPACN-(1,2-dithiophen-2-ylethyl)thiolan-3-amine
SMILESc1csc(CC(NC2CCSC2)c2cccs2)c1
InChIInChI=1S/C14H17NS3/c1-3-12(17-6-1)9-13(14-4-2-7-18-14)15-11-5-8-16-10-11/h1-4,6-7,11,13,15H,5,8-10H2
InChIKeyRYMIMJLRERNSAD-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.19
Rot. Bonds5

About N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine

N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine (PubChem CID 103930732) has the molecular formula C14H17NS3 and a molecular weight of 295.50 g/mol. Its IUPAC name is N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(1,2-dithiophen-2-ylethyl)thiolan-3-amine
PubChem CID103930732
Molecular FormulaC14H17NS3
Molecular Weight295.50 g/mol
Exact Mass295.05
IUPAC NameN-(1,2-dithiophen-2-ylethyl)thiolan-3-amine
SMILESc1csc(CC(NC2CCSC2)c2cccs2)c1
InChIInChI=1S/C14H17NS3/c1-3-12(17-6-1)9-13(14-4-2-7-18-14)15-11-5-8-16-10-11/h1-4,6-7,11,13,15H,5,8-10H2
InChIKeyRYMIMJLRERNSAD-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-dithiophen-2-ylethyl)cyclohexanamine
CID 43756050
N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
CID 107295205
N-(2-thiophen-2-ylpropyl)thiolan-3-amine
CID 115722114
1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol
CID 63294884
N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine
CID 81391508
N-(1-cyclohexylethyl)-1,2-dithiophen-2-ylethanamine
CID 63478173
N-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine
CID 62087490
N-(dithiophen-2-ylmethyl)thian-4-amine
CID 115641775
1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine
CID 63989311
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine
CID 115576085
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine?
The IUPAC name of N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine (CID 103930732) is N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine.
What is the SMILES notation for N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine?
The canonical SMILES for N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine is c1csc(CC(NC2CCSC2)c2cccs2)c1.
What is the InChIKey of N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine?
The InChIKey is RYMIMJLRERNSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS3/c1-3-12(17-6-1)9-13(14-4-2-7-18-14)15-11-5-8-16-10-11/h1-4,6-7,11,13,15H,5,8-10H2.
What are the key properties of N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine?
N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine has a molecular weight of 295.50 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine is sourced from PubChem (CID 103930732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).