N,N-diethyl-1-ethylsulfanylpropan-1-amine

C9H21NS — CID 57024689

IUPACN,N-diethyl-1-ethylsulfanylpropan-1-amine
SMILESCCSC(CC)N(CC)CC
InChIInChI=1S/C9H21NS/c1-5-9(11-8-4)10(6-2)7-3/h9H,5-8H2,1-4H3
InChIKeyTXNOAJLLIYGOMB-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.82
Rot. Bonds6

About N,N-diethyl-1-ethylsulfanylpropan-1-amine

N,N-diethyl-1-ethylsulfanylpropan-1-amine (PubChem CID 57024689) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is N,N-diethyl-1-ethylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-ethylsulfanylpropan-1-amine
PubChem CID57024689
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC NameN,N-diethyl-1-ethylsulfanylpropan-1-amine
SMILESCCSC(CC)N(CC)CC
InChIInChI=1S/C9H21NS/c1-5-9(11-8-4)10(6-2)7-3/h9H,5-8H2,1-4H3
InChIKeyTXNOAJLLIYGOMB-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-ethylsulfanylpropan-1-amine?
The IUPAC name of N,N-diethyl-1-ethylsulfanylpropan-1-amine (CID 57024689) is N,N-diethyl-1-ethylsulfanylpropan-1-amine.
What is the SMILES notation for N,N-diethyl-1-ethylsulfanylpropan-1-amine?
The canonical SMILES for N,N-diethyl-1-ethylsulfanylpropan-1-amine is CCSC(CC)N(CC)CC.
What is the InChIKey of N,N-diethyl-1-ethylsulfanylpropan-1-amine?
The InChIKey is TXNOAJLLIYGOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-5-9(11-8-4)10(6-2)7-3/h9H,5-8H2,1-4H3.
What are the key properties of N,N-diethyl-1-ethylsulfanylpropan-1-amine?
N,N-diethyl-1-ethylsulfanylpropan-1-amine has a molecular weight of 175.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-ethylsulfanylpropan-1-amine is sourced from PubChem (CID 57024689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).