N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine

C12H21NOS2 — CID 64653627

IUPACN-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine
SMILESCCNC(CS(=O)c1cccs1)C(C)(C)C
InChIInChI=1S/C12H21NOS2/c1-5-13-10(12(2,3)4)9-16(14)11-7-6-8-15-11/h6-8,10,13H,5,9H2,1-4H3
InChIKeyFFCPSZRBPWYTHE-UHFFFAOYSA-N
MW259.44 g/mol
LogP2.88
Rot. Bonds5

About N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine

N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine (PubChem CID 64653627) has the molecular formula C12H21NOS2 and a molecular weight of 259.44 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine
PubChem CID64653627
Molecular FormulaC12H21NOS2
Molecular Weight259.44 g/mol
Exact Mass259.11
IUPAC NameN-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine
SMILESCCNC(CS(=O)c1cccs1)C(C)(C)C
InChIInChI=1S/C12H21NOS2/c1-5-13-10(12(2,3)4)9-16(14)11-7-6-8-15-11/h6-8,10,13H,5,9H2,1-4H3
InChIKeyFFCPSZRBPWYTHE-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(4-ethylphenyl)-2-thiophen-2-ylsulfinylethanamine
CID 64653013
1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658251
1-(3-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658378
N-ethyl-1-(4-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine
CID 64659694
N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine
CID 64652385
1-thiophen-2-ylsulfinylpentan-2-amine
CID 64652798
N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine
CID 64659700
N-ethyl-3,3-dimethyl-1-(4-methylsulfonylphenyl)sulfinylbutan-2-amine
CID 64656477
N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine
CID 64650951
2-tert-butylsulfinylthiophene
CID 784928
N-ethyl-3,3-dimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64659390
3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine
CID 79485910

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine (CID 64653627) is N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine is CCNC(CS(=O)c1cccs1)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine?
The InChIKey is FFCPSZRBPWYTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS2/c1-5-13-10(12(2,3)4)9-16(14)11-7-6-8-15-11/h6-8,10,13H,5,9H2,1-4H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine?
N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine has a molecular weight of 259.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine is sourced from PubChem (CID 64653627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).