N-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine

C10H19NS — CID 105163655

IUPACN-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine
SMILESC=C(C)C(NCC)C1CCSC1
InChIInChI=1S/C10H19NS/c1-4-11-10(8(2)3)9-5-6-12-7-9/h9-11H,2,4-7H2,1,3H3
InChIKeyCPBPIVSEZPAZFC-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.29
Rot. Bonds4

About N-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine

N-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine (PubChem CID 105163655) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine
PubChem CID105163655
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine
SMILESC=C(C)C(NCC)C1CCSC1
InChIInChI=1S/C10H19NS/c1-4-11-10(8(2)3)9-5-6-12-7-9/h9-11H,2,4-7H2,1,3H3
InChIKeyCPBPIVSEZPAZFC-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-N,2-dipropyl-3H-thiophen-3-amine
CID 57027759
N-ethyl-2-methyl-2-propyl-3H-thiophen-3-amine
CID 57262193
(3S)-N-methyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 88543586
(3S)-N,5-dimethyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 88936056
(3S)-2-methyl-5-methylsulfanyl-N-[(2R)-pentan-2-yl]pent-1-en-3-amine
CID 89062407
(3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine
CID 89215267
N-methyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 89738367
(3S)-N-ethyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 89976814
(2S)-3-methylidene-2-(2-methylsulfanylethyl)pyrrolidine
CID 90184361
N,5-dimethyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 121420026
4-Methyl-2-(1-methylsulfanylethenyl)pyrrolidine
CID 123498185
N,2-dimethyl-5-prop-1-en-2-ylsulfanylhex-1-en-3-amine
CID 156206948

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine (CID 105163655) is N-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine is C=C(C)C(NCC)C1CCSC1.
What is the InChIKey of N-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine?
The InChIKey is CPBPIVSEZPAZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-11-10(8(2)3)9-5-6-12-7-9/h9-11H,2,4-7H2,1,3H3.
What are the key properties of N-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine?
N-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(thiolan-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 105163655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).