N,N-diethyl-2-methylsulfanylethanamine

C7H17NS — CID 23279044

IUPACN,N-diethyl-2-methylsulfanylethanamine
SMILESCCN(CC)CCSC
InChIInChI=1S/C7H17NS/c1-4-8(5-2)6-7-9-3/h4-7H2,1-3H3
InChIKeyNCEBDVSAEIMPNE-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.69
Rot. Bonds5

About N,N-diethyl-2-methylsulfanylethanamine

N,N-diethyl-2-methylsulfanylethanamine (PubChem CID 23279044) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is N,N-diethyl-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-methylsulfanylethanamine
PubChem CID23279044
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC NameN,N-diethyl-2-methylsulfanylethanamine
SMILESCCN(CC)CCSC
InChIInChI=1S/C7H17NS/c1-4-8(5-2)6-7-9-3/h4-7H2,1-3H3
InChIKeyNCEBDVSAEIMPNE-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methylsulfanylethanamine?
The IUPAC name of N,N-diethyl-2-methylsulfanylethanamine (CID 23279044) is N,N-diethyl-2-methylsulfanylethanamine.
What is the SMILES notation for N,N-diethyl-2-methylsulfanylethanamine?
The canonical SMILES for N,N-diethyl-2-methylsulfanylethanamine is CCN(CC)CCSC.
What is the InChIKey of N,N-diethyl-2-methylsulfanylethanamine?
The InChIKey is NCEBDVSAEIMPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-4-8(5-2)6-7-9-3/h4-7H2,1-3H3.
What are the key properties of N,N-diethyl-2-methylsulfanylethanamine?
N,N-diethyl-2-methylsulfanylethanamine has a molecular weight of 147.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methylsulfanylethanamine is sourced from PubChem (CID 23279044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).