1-butylsulfanyl-N,N-dimethylethenamine

C8H17NS — CID 44720585

IUPAC1-butylsulfanyl-N,N-dimethylethenamine
SMILESC=C(SCCCC)N(C)C
InChIInChI=1S/C8H17NS/c1-5-6-7-10-8(2)9(3)4/h2,5-7H2,1,3-4H3
InChIKeyVJLRBXOQPYFTCC-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.55
Rot. Bonds5

About 1-butylsulfanyl-N,N-dimethylethenamine

1-butylsulfanyl-N,N-dimethylethenamine (PubChem CID 44720585) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-butylsulfanyl-N,N-dimethylethenamine.

Molecular Properties

Compound Name1-butylsulfanyl-N,N-dimethylethenamine
PubChem CID44720585
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-butylsulfanyl-N,N-dimethylethenamine
SMILESC=C(SCCCC)N(C)C
InChIInChI=1S/C8H17NS/c1-5-6-7-10-8(2)9(3)4/h2,5-7H2,1,3-4H3
InChIKeyVJLRBXOQPYFTCC-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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

(E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine
CID 134923273
1-ethylsulfanyl-N,N-dimethylethenamine
CID 102249013
N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine
CID 118346185
N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine
CID 123138972
N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine
CID 123347597
1-(1-Hexylthiiran-1-yl)ethenyl-trimethylazanium
CID 123614473
1-(1-butylthiiran-1-yl)-N,N-dimethylethenamine
CID 123743121
1-(1-Butylthiiran-1-yl)ethenyl-trimethylazanium
CID 123806529
1-but-2-ynylsulfanyl-N,N-dimethylethenamine
CID 126607413
1-butylsulfanyl-N-ethyl-N-methylethenamine
CID 142050758
N-ethyl-N-methyl-1-propylsulfanylethenamine
CID 142050793
N,N-dimethyl-1-propylsulfanylethenamine
CID 142051117

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfanyl-N,N-dimethylethenamine?
The IUPAC name of 1-butylsulfanyl-N,N-dimethylethenamine (CID 44720585) is 1-butylsulfanyl-N,N-dimethylethenamine.
What is the SMILES notation for 1-butylsulfanyl-N,N-dimethylethenamine?
The canonical SMILES for 1-butylsulfanyl-N,N-dimethylethenamine is C=C(SCCCC)N(C)C.
What is the InChIKey of 1-butylsulfanyl-N,N-dimethylethenamine?
The InChIKey is VJLRBXOQPYFTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-5-6-7-10-8(2)9(3)4/h2,5-7H2,1,3-4H3.
What are the key properties of 1-butylsulfanyl-N,N-dimethylethenamine?
1-butylsulfanyl-N,N-dimethylethenamine has a molecular weight of 159.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfanyl-N,N-dimethylethenamine is sourced from PubChem (CID 44720585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).