N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine

C14H23NOS — CID 64656582

IUPACN-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine
SMILESCCNC(CC)C(C)S(=O)c1ccccc1C
InChIInChI=1S/C14H23NOS/c1-5-13(15-6-2)12(4)17(16)14-10-8-7-9-11(14)3/h7-10,12-13,15H,5-6H2,1-4H3
InChIKeyORKAFBLDBIODBI-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.88
Rot. Bonds6

About N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine

N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine (PubChem CID 64656582) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine
PubChem CID64656582
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine
SMILESCCNC(CC)C(C)S(=O)c1ccccc1C
InChIInChI=1S/C14H23NOS/c1-5-13(15-6-2)12(4)17(16)14-10-8-7-9-11(14)3/h7-10,12-13,15H,5-6H2,1-4H3
InChIKeyORKAFBLDBIODBI-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-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

2-(2-methylphenyl)sulfinylpentan-3-amine
CID 64655971
N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine
CID 64704016
2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine
CID 64658469
3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine
CID 64655566
2-(2-methylphenyl)sulfinylbutan-1-amine
CID 81329169
N-ethyl-3-(2-fluorophenyl)sulfinylbutan-2-amine
CID 64657749
N-methyl-2-(2-nitrophenyl)sulfinylpentan-3-amine
CID 64653936
2-tert-butylsulfinyl-N-ethylpentan-3-amine
CID 64652351
3-(2-methylphenyl)sulfinylheptan-4-amine
CID 64656787
N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine
CID 64657190
N-ethyl-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 60818877
N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine
CID 79444367

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine?
The IUPAC name of N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine (CID 64656582) is N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine.
What is the SMILES notation for N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine?
The canonical SMILES for N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine is CCNC(CC)C(C)S(=O)c1ccccc1C.
What is the InChIKey of N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine?
The InChIKey is ORKAFBLDBIODBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-13(15-6-2)12(4)17(16)14-10-8-7-9-11(14)3/h7-10,12-13,15H,5-6H2,1-4H3.
What are the key properties of N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine?
N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine has a molecular weight of 253.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine is sourced from PubChem (CID 64656582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).