N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine

C11H15NS2 — CID 103068085

IUPACN-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CSc1cccs1
InChIInChI=1S/C11H15NS2/c1-9(7-12-10-4-5-10)8-14-11-3-2-6-13-11/h2-3,6,10,12H,1,4-5,7-8H2
InChIKeyFRXSHPRNQKDLMZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.15
Rot. Bonds6

About N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine

N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103068085) has the molecular formula C11H15NS2 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine
PubChem CID103068085
Molecular FormulaC11H15NS2
Molecular Weight225.38 g/mol
Exact Mass225.06
IUPAC NameN-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CSc1cccs1
InChIInChI=1S/C11H15NS2/c1-9(7-12-10-4-5-10)8-14-11-3-2-6-13-11/h2-3,6,10,12H,1,4-5,7-8H2
InChIKeyFRXSHPRNQKDLMZ-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine 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

N-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine
CID 103068311
4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine
CID 62577729
N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 103069890
N-[2-[(5-chloro-2-pyridinyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine
CID 103068619
2-(thiophen-2-ylsulfanylmethyl)prop-2-enoic acid
CID 21268829
N-[(2-thiophen-2-ylsulfanylpyrimidin-5-yl)methyl]cyclopropanamine
CID 113388628
N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine
CID 103068689
2-cyclopropyl-2-(cyclopropylamino)-3-thiophen-2-ylsulfanylpropan-1-ol
CID 64821955
1-thiophen-2-ylsulfanylpropan-2-one
CID 521033
1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone
CID 43427796
2-(cyclopropylamino)-4-thiophen-2-ylsulfanylbutanoic acid
CID 63034813
2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol
CID 126985922

Frequently Asked Questions

What is the IUPAC name of N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine (CID 103068085) is N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)CSc1cccs1.
What is the InChIKey of N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is FRXSHPRNQKDLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS2/c1-9(7-12-10-4-5-10)8-14-11-3-2-6-13-11/h2-3,6,10,12H,1,4-5,7-8H2.
What are the key properties of N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine?
N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 225.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103068085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).