N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine

C14H23NS3 — CID 115387152

IUPACN-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)C1SCCSC1C
InChIInChI=1S/C14H23NS3/c1-3-15-13(7-6-12-5-4-8-17-12)14-11(2)16-9-10-18-14/h4-5,8,11,13-15H,3,6-7,9-10H2,1-2H3
InChIKeyMHVJDRAHHRCAEW-UHFFFAOYSA-N
MW301.55 g/mol
LogP3.90
Rot. Bonds6

About N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine

N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 115387152) has the molecular formula C14H23NS3 and a molecular weight of 301.55 g/mol. Its IUPAC name is N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID115387152
Molecular FormulaC14H23NS3
Molecular Weight301.55 g/mol
Exact Mass301.10
IUPAC NameN-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)C1SCCSC1C
InChIInChI=1S/C14H23NS3/c1-3-15-13(7-6-12-5-4-8-17-12)14-11(2)16-9-10-18-14/h4-5,8,11,13-15H,3,6-7,9-10H2,1-2H3
InChIKeyMHVJDRAHHRCAEW-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-phenylpropan-1-amine
CID 115387134
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)hexan-1-amine
CID 115387051
1-(2,3-dihydro-1H-inden-1-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 65405145
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 105150234
N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150413
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)hex-4-yn-1-amine
CID 104807202
2-cyclopropyl-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115387151
2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115387174
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
N-methyl-1-(4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 55236906
1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 79087726
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 116766642

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine (CID 115387152) is N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)C1SCCSC1C.
What is the InChIKey of N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is MHVJDRAHHRCAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS3/c1-3-15-13(7-6-12-5-4-8-17-12)14-11(2)16-9-10-18-14/h4-5,8,11,13-15H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine?
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 301.55 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115387152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).