N-ethyl-2-methyl-3-methylsulfinylpropan-1-amine

C7H17NOS — CID 88978469

IUPACN-ethyl-2-methyl-3-methylsulfinylpropan-1-amine
SMILESCCNCC(C)CS(C)=O
InChIInChI=1S/C7H17NOS/c1-4-8-5-7(2)6-10(3)9/h7-8H,4-6H2,1-3H3
InChIKeyXNDWRFBDQMJFAV-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.61
Rot. Bonds5

About N-ethyl-2-methyl-3-methylsulfinylpropan-1-amine

N-ethyl-2-methyl-3-methylsulfinylpropan-1-amine (PubChem CID 88978469) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-methylsulfinylpropan-1-amine
PubChem CID88978469
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC NameN-ethyl-2-methyl-3-methylsulfinylpropan-1-amine
SMILESCCNCC(C)CS(C)=O
InChIInChI=1S/C7H17NOS/c1-4-8-5-7(2)6-10(3)9/h7-8H,4-6H2,1-3H3
InChIKeyXNDWRFBDQMJFAV-UHFFFAOYSA-N
XLogP0.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-methyl-3-methylsulfinylpropan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-methylsulfinylpropan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-methylsulfinylpropan-1-amine (CID 88978469) is N-ethyl-2-methyl-3-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-methylsulfinylpropan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-methylsulfinylpropan-1-amine is CCNCC(C)CS(C)=O.
What is the InChIKey of N-ethyl-2-methyl-3-methylsulfinylpropan-1-amine?
The InChIKey is XNDWRFBDQMJFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-4-8-5-7(2)6-10(3)9/h7-8H,4-6H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-3-methylsulfinylpropan-1-amine?
N-ethyl-2-methyl-3-methylsulfinylpropan-1-amine has a molecular weight of 163.29 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-methylsulfinylpropan-1-amine is sourced from PubChem (CID 88978469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).