(E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine

C8H17NS — CID 46941525

IUPAC(E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine
SMILESCCN(/C=C/CSC)CC
InChIInChI=1S/C8H17NS/c1-4-9(5-2)7-6-8-10-3/h6-7H,4-5,8H2,1-3H3/b7-6+
InChIKeyKBAORPXMGKEUDV-VOTSOKGWSA-N
MW159.30 g/mol
LogP2.20
Rot. Bonds5

About (E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine

(E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine (PubChem CID 46941525) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine
PubChem CID46941525
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine
SMILESCCN(/C=C/CSC)CC
InChIInChI=1S/C8H17NS/c1-4-9(5-2)7-6-8-10-3/h6-7H,4-5,8H2,1-3H3/b7-6+
InChIKeyKBAORPXMGKEUDV-VOTSOKGWSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine?
The IUPAC name of (E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine (CID 46941525) is (E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine.
What is the SMILES notation for (E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine?
The canonical SMILES for (E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine is CCN(/C=C/CSC)CC.
What is the InChIKey of (E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine?
The InChIKey is KBAORPXMGKEUDV-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-9(5-2)7-6-8-10-3/h6-7H,4-5,8H2,1-3H3/b7-6+.
What are the key properties of (E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine?
(E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine has a molecular weight of 159.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-methylsulfanylprop-1-en-1-amine is sourced from PubChem (CID 46941525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).