N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine

C8H17NS — CID 118346185

IUPACN-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine
SMILESC=C(SCC)N(C)C(C)C
InChIInChI=1S/C8H17NS/c1-6-10-8(4)9(5)7(2)3/h7H,4,6H2,1-3,5H3
InChIKeyYUODVCNCPXUCBF-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.55
Rot. Bonds4

About N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine

N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine (PubChem CID 118346185) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine
PubChem CID118346185
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine
SMILESC=C(SCC)N(C)C(C)C
InChIInChI=1S/C8H17NS/c1-6-10-8(4)9(5)7(2)3/h7H,4,6H2,1-3,5H3
InChIKeyYUODVCNCPXUCBF-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine?
The IUPAC name of N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine (CID 118346185) is N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine.
What is the SMILES notation for N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine?
The canonical SMILES for N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine is C=C(SCC)N(C)C(C)C.
What is the InChIKey of N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine?
The InChIKey is YUODVCNCPXUCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-6-10-8(4)9(5)7(2)3/h7H,4,6H2,1-3,5H3.
What are the key properties of N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine?
N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine has a molecular weight of 159.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 118346185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).