(Z)-3-(methylamino)-2-(2-methylsulfanylcyclopenten-1-yl)prop-2-enamide

C10H16N2OS — CID 143029563

IUPAC(Z)-3-(methylamino)-2-(2-methylsulfanylcyclopenten-1-yl)prop-2-enamide
SMILESCN/C=C(\C(N)=O)C1=C(SC)CCC1
InChIInChI=1S/C10H16N2OS/c1-12-6-8(10(11)13)7-4-3-5-9(7)14-2/h6,12H,3-5H2,1-2H3,(H2,11,13)/b8-6-
InChIKeyAZWWTUMFFQSDBK-VURMDHGXSA-N
MW212.32 g/mol
LogP1.38
Rot. Bonds4

About (Z)-3-(methylamino)-2-(2-methylsulfanylcyclopenten-1-yl)prop-2-enamide

(Z)-3-(methylamino)-2-(2-methylsulfanylcyclopenten-1-yl)prop-2-enamide (PubChem CID 143029563) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is (Z)-3-(methylamino)-2-(2-methylsulfanylcyclopenten-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(methylamino)-2-(2-methylsulfanylcyclopenten-1-yl)prop-2-enamide
PubChem CID143029563
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name(Z)-3-(methylamino)-2-(2-methylsulfanylcyclopenten-1-yl)prop-2-enamide
SMILESCN/C=C(\C(N)=O)C1=C(SC)CCC1
InChIInChI=1S/C10H16N2OS/c1-12-6-8(10(11)13)7-4-3-5-9(7)14-2/h6,12H,3-5H2,1-2H3,(H2,11,13)/b8-6-
InChIKeyAZWWTUMFFQSDBK-VURMDHGXSA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(methylamino)-2-(2-methylsulfanylcyclopenten-1-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(methylamino)-2-(2-methylsulfanylcyclopenten-1-yl)prop-2-enamide (CID 143029563) is (Z)-3-(methylamino)-2-(2-methylsulfanylcyclopenten-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(methylamino)-2-(2-methylsulfanylcyclopenten-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(methylamino)-2-(2-methylsulfanylcyclopenten-1-yl)prop-2-enamide is CN/C=C(\C(N)=O)C1=C(SC)CCC1.
What is the InChIKey of (Z)-3-(methylamino)-2-(2-methylsulfanylcyclopenten-1-yl)prop-2-enamide?
The InChIKey is AZWWTUMFFQSDBK-VURMDHGXSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-12-6-8(10(11)13)7-4-3-5-9(7)14-2/h6,12H,3-5H2,1-2H3,(H2,11,13)/b8-6-.
What are the key properties of (Z)-3-(methylamino)-2-(2-methylsulfanylcyclopenten-1-yl)prop-2-enamide?
(Z)-3-(methylamino)-2-(2-methylsulfanylcyclopenten-1-yl)prop-2-enamide has a molecular weight of 212.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methylamino)-2-(2-methylsulfanylcyclopenten-1-yl)prop-2-enamide is sourced from PubChem (CID 143029563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).