3-ethenylsulfanyl-N,N-diethylpropan-1-amine

C9H19NS — CID 126593643

IUPAC3-ethenylsulfanyl-N,N-diethylpropan-1-amine
SMILESC=CSCCCN(CC)CC
InChIInChI=1S/C9H19NS/c1-4-10(5-2)8-7-9-11-6-3/h6H,3-5,7-9H2,1-2H3
InChIKeyVHXXHHSWHKJNEM-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.60
Rot. Bonds7

About 3-ethenylsulfanyl-N,N-diethylpropan-1-amine

3-ethenylsulfanyl-N,N-diethylpropan-1-amine (PubChem CID 126593643) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-ethenylsulfanyl-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-ethenylsulfanyl-N,N-diethylpropan-1-amine
PubChem CID126593643
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3-ethenylsulfanyl-N,N-diethylpropan-1-amine
SMILESC=CSCCCN(CC)CC
InChIInChI=1S/C9H19NS/c1-4-10(5-2)8-7-9-11-6-3/h6H,3-5,7-9H2,1-2H3
InChIKeyVHXXHHSWHKJNEM-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Diethylamino)propyl thiocyanate
CID 44385370
3-methylsulfanyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine
CID 373739
2-Diethylaminoethyl vinyl sulfide
CID 10351961
1-Propanaminium, 3-(dimethylsulfonio)-N,N,N-trimethyl-
CID 30930
Diethylmethyl(3-(methylthio)propyl)ammonium iodide
CID 21150095
1-ethenylsulfanyl-N,N-diethylethanamine
CID 20386161
N-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine
CID 22975534
N-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine
CID 22975535
N,N-diethyl-4-methylsulfanylbutan-1-amine
CID 53860790
N,N-diethyl-1-ethylsulfanylpropan-1-amine
CID 57024689
N-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine
CID 59169987
N-ethyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine
CID 88529246

Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfanyl-N,N-diethylpropan-1-amine?
The IUPAC name of 3-ethenylsulfanyl-N,N-diethylpropan-1-amine (CID 126593643) is 3-ethenylsulfanyl-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-ethenylsulfanyl-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-ethenylsulfanyl-N,N-diethylpropan-1-amine is C=CSCCCN(CC)CC.
What is the InChIKey of 3-ethenylsulfanyl-N,N-diethylpropan-1-amine?
The InChIKey is VHXXHHSWHKJNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-10(5-2)8-7-9-11-6-3/h6H,3-5,7-9H2,1-2H3.
What are the key properties of 3-ethenylsulfanyl-N,N-diethylpropan-1-amine?
3-ethenylsulfanyl-N,N-diethylpropan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfanyl-N,N-diethylpropan-1-amine is sourced from PubChem (CID 126593643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).