[3-[methyl(methylidene)-λ4-sulfanyl]cyclopent-2-en-1-yl]methanamine

C8H15NS — CID 123338138

IUPAC[3-[methyl(methylidene)-λ4-sulfanyl]cyclopent-2-en-1-yl]methanamine
SMILESC=S(C)C1=CC(CN)CC1
InChIInChI=1S/C8H15NS/c1-10(2)8-4-3-7(5-8)6-9/h5,7H,1,3-4,6,9H2,2H3
InChIKeyZPXYAAMVGOLBJM-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.57
Rot. Bonds2

About [3-[methyl(methylidene)-λ4-sulfanyl]cyclopent-2-en-1-yl]methanamine

[3-[methyl(methylidene)-λ4-sulfanyl]cyclopent-2-en-1-yl]methanamine (PubChem CID 123338138) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is [3-[methyl(methylidene)-λ4-sulfanyl]cyclopent-2-en-1-yl]methanamine.

Molecular Properties

Compound Name[3-[methyl(methylidene)-λ4-sulfanyl]cyclopent-2-en-1-yl]methanamine
PubChem CID123338138
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name[3-[methyl(methylidene)-λ4-sulfanyl]cyclopent-2-en-1-yl]methanamine
SMILESC=S(C)C1=CC(CN)CC1
InChIInChI=1S/C8H15NS/c1-10(2)8-4-3-7(5-8)6-9/h5,7H,1,3-4,6,9H2,2H3
InChIKeyZPXYAAMVGOLBJM-UHFFFAOYSA-N
XLogP1.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-Ethyl-5-methyl-2,3-dihydrothiophen-2-yl)methanamine
CID 89785613
2-(3,6-dihydro-2H-thiopyran-4-yl)propan-1-amine
CID 105430851
3-(2,5-Dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine
CID 170868150
2-(2,5-Dimethyl-2,3-dihydrothiophen-3-yl)ethanamine
CID 170868968

Frequently Asked Questions

What is the IUPAC name of [3-[methyl(methylidene)-λ4-sulfanyl]cyclopent-2-en-1-yl]methanamine?
The IUPAC name of [3-[methyl(methylidene)-λ4-sulfanyl]cyclopent-2-en-1-yl]methanamine (CID 123338138) is [3-[methyl(methylidene)-λ4-sulfanyl]cyclopent-2-en-1-yl]methanamine.
What is the SMILES notation for [3-[methyl(methylidene)-λ4-sulfanyl]cyclopent-2-en-1-yl]methanamine?
The canonical SMILES for [3-[methyl(methylidene)-λ4-sulfanyl]cyclopent-2-en-1-yl]methanamine is C=S(C)C1=CC(CN)CC1.
What is the InChIKey of [3-[methyl(methylidene)-λ4-sulfanyl]cyclopent-2-en-1-yl]methanamine?
The InChIKey is ZPXYAAMVGOLBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-10(2)8-4-3-7(5-8)6-9/h5,7H,1,3-4,6,9H2,2H3.
What are the key properties of [3-[methyl(methylidene)-λ4-sulfanyl]cyclopent-2-en-1-yl]methanamine?
[3-[methyl(methylidene)-λ4-sulfanyl]cyclopent-2-en-1-yl]methanamine has a molecular weight of 157.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(methylidene)-λ4-sulfanyl]cyclopent-2-en-1-yl]methanamine is sourced from PubChem (CID 123338138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).