N-ethyl-2-propan-2-ylsulfinylethanamine

C7H17NOS — CID 64655800

IUPACN-ethyl-2-propan-2-ylsulfinylethanamine
SMILESCCNCCS(=O)C(C)C
InChIInChI=1S/C7H17NOS/c1-4-8-5-6-10(9)7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyGQRCCAFBFZMZIX-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.75
Rot. Bonds5

About N-ethyl-2-propan-2-ylsulfinylethanamine

N-ethyl-2-propan-2-ylsulfinylethanamine (PubChem CID 64655800) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is N-ethyl-2-propan-2-ylsulfinylethanamine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-ylsulfinylethanamine
PubChem CID64655800
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC NameN-ethyl-2-propan-2-ylsulfinylethanamine
SMILESCCNCCS(=O)C(C)C
InChIInChI=1S/C7H17NOS/c1-4-8-5-6-10(9)7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyGQRCCAFBFZMZIX-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-ylsulfinylethanamine?
The IUPAC name of N-ethyl-2-propan-2-ylsulfinylethanamine (CID 64655800) is N-ethyl-2-propan-2-ylsulfinylethanamine.
What is the SMILES notation for N-ethyl-2-propan-2-ylsulfinylethanamine?
The canonical SMILES for N-ethyl-2-propan-2-ylsulfinylethanamine is CCNCCS(=O)C(C)C.
What is the InChIKey of N-ethyl-2-propan-2-ylsulfinylethanamine?
The InChIKey is GQRCCAFBFZMZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-4-8-5-6-10(9)7(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of N-ethyl-2-propan-2-ylsulfinylethanamine?
N-ethyl-2-propan-2-ylsulfinylethanamine has a molecular weight of 163.29 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-ylsulfinylethanamine is sourced from PubChem (CID 64655800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).