N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine

C11H19NOS2 — CID 64652385

IUPACN-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine
SMILESCCNC(C)CCCS(=O)c1cccs1
InChIInChI=1S/C11H19NOS2/c1-3-12-10(2)6-5-9-15(13)11-7-4-8-14-11/h4,7-8,10,12H,3,5-6,9H2,1-2H3
InChIKeyMXIOPPFAQLHXAD-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.63
Rot. Bonds7

About N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine

N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine (PubChem CID 64652385) has the molecular formula C11H19NOS2 and a molecular weight of 245.41 g/mol. Its IUPAC name is N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine
PubChem CID64652385
Molecular FormulaC11H19NOS2
Molecular Weight245.41 g/mol
Exact Mass245.09
IUPAC NameN-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine
SMILESCCNC(C)CCCS(=O)c1cccs1
InChIInChI=1S/C11H19NOS2/c1-3-12-10(2)6-5-9-15(13)11-7-4-8-14-11/h4,7-8,10,12H,3,5-6,9H2,1-2H3
InChIKeyMXIOPPFAQLHXAD-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine
CID 64653423
N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine
CID 64654040
N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine
CID 64653627
N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine
CID 64653013
1-thiophen-2-ylsulfinylpentan-2-amine
CID 64652798
N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine
CID 64651350
N-(3-thiophen-2-ylpropyl)hexan-2-amine
CID 115897415
2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine
CID 81328342
1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one
CID 64638878
N-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine
CID 64660191
5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine
CID 64657988
2-(5-thiophen-2-ylpentan-2-ylamino)ethanol
CID 83980472

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine?
The IUPAC name of N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine (CID 64652385) is N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine.
What is the SMILES notation for N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine?
The canonical SMILES for N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine is CCNC(C)CCCS(=O)c1cccs1.
What is the InChIKey of N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine?
The InChIKey is MXIOPPFAQLHXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS2/c1-3-12-10(2)6-5-9-15(13)11-7-4-8-14-11/h4,7-8,10,12H,3,5-6,9H2,1-2H3.
What are the key properties of N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine?
N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine is sourced from PubChem (CID 64652385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).