N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine

C14H23NS2 — CID 105147773

IUPACN-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)C1(C)CCCS1
InChIInChI=1S/C14H23NS2/c1-3-15-13(14(2)8-4-9-17-14)6-5-12-7-10-16-11-12/h7,10-11,13,15H,3-6,8-9H2,1-2H3
InChIKeyZHPLMEJFXCLBGM-UHFFFAOYSA-N
MW269.48 g/mol
LogP3.94
Rot. Bonds6

About N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine

N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 105147773) has the molecular formula C14H23NS2 and a molecular weight of 269.48 g/mol. Its IUPAC name is N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine
PubChem CID105147773
Molecular FormulaC14H23NS2
Molecular Weight269.48 g/mol
Exact Mass269.13
IUPAC NameN-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1ccsc1)C1(C)CCCS1
InChIInChI=1S/C14H23NS2/c1-3-15-13(14(2)8-4-9-17-14)6-5-12-7-10-16-11-12/h7,10-11,13,15H,3-6,8-9H2,1-2H3
InChIKeyZHPLMEJFXCLBGM-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine
CID 79064190
1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcyclohexan-1-amine
CID 79066376
N-ethyl-4-methyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine
CID 105182489
N-ethyl-2-methoxy-1-(2-methylthiolan-2-yl)ethanamine
CID 105165560
N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine
CID 79080663
1-(1-methoxycyclopentyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 113432820
1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine
CID 115856888
1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 115856802
N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 80626936
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol
CID 115798476
N-ethyl-1-(1-phenylcyclobutyl)-2-thiophen-3-ylethanamine
CID 63078464
1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 116771017

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine (CID 105147773) is N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine is CCNC(CCc1ccsc1)C1(C)CCCS1.
What is the InChIKey of N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is ZHPLMEJFXCLBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS2/c1-3-15-13(14(2)8-4-9-17-14)6-5-12-7-10-16-11-12/h7,10-11,13,15H,3-6,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine?
N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 105147773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).