N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine

C13H23NOS2 — CID 64651350

IUPACN-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine
SMILESCCCC(NCC)C(CC)S(=O)c1cccs1
InChIInChI=1S/C13H23NOS2/c1-4-8-11(14-6-3)12(5-2)17(15)13-9-7-10-16-13/h7,9-12,14H,4-6,8H2,1-3H3
InChIKeyUQTZCPFQZKIBBC-UHFFFAOYSA-N
MW273.47 g/mol
LogP3.41
Rot. Bonds8

About N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine

N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine (PubChem CID 64651350) has the molecular formula C13H23NOS2 and a molecular weight of 273.47 g/mol. Its IUPAC name is N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine
PubChem CID64651350
Molecular FormulaC13H23NOS2
Molecular Weight273.47 g/mol
Exact Mass273.12
IUPAC NameN-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine
SMILESCCCC(NCC)C(CC)S(=O)c1cccs1
InChIInChI=1S/C13H23NOS2/c1-4-8-11(14-6-3)12(5-2)17(15)13-9-7-10-16-13/h7,9-12,14H,4-6,8H2,1-3H3
InChIKeyUQTZCPFQZKIBBC-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine
CID 64653004
3-thiophen-2-ylsulfinylpentan-1-amine
CID 81329352
3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine
CID 64655566
3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64659442
N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine
CID 64652385
1-thiophen-2-ylsulfinylpentan-2-amine
CID 64652798
3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64657309
3-(4-chlorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64658249
ethyl 2-thiophen-2-ylsulfinylbutanoate
CID 64662688
N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine
CID 64653627
N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine
CID 64653423
N-ethyl-3-phenylheptan-4-amine
CID 83051533

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine?
The IUPAC name of N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine (CID 64651350) is N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine.
What is the SMILES notation for N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine?
The canonical SMILES for N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine is CCCC(NCC)C(CC)S(=O)c1cccs1.
What is the InChIKey of N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine?
The InChIKey is UQTZCPFQZKIBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS2/c1-4-8-11(14-6-3)12(5-2)17(15)13-9-7-10-16-13/h7,9-12,14H,4-6,8H2,1-3H3.
What are the key properties of N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine?
N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine has a molecular weight of 273.47 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine is sourced from PubChem (CID 64651350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).